SCHEMBL6094043

SCHEMBL6094043

CC(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
DYRK1A Q13627 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18922385 0.88 MEN1 (0.45) TACR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15428158 0.83 L3MBTL1 (0.43) ALDH1A1L3MBTL1ALOX12NPSR1POLB
SCHEMBL4047337 0.83 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL29950895 0.82 RXFP1 (0.51) MEN1KMT2ACYP1A2CYP2C9POLB
SCHEMBL6755112 0.82 RXFP1 (0.51) MEN1KMT2ACYP1A2CYP2C9POLB
SCHEMBL8946084 0.81 GAA (0.48) TACR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13015660 0.80 KIF11 (0.52) TACR1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15428010 0.80 SRC (0.44) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL3010925 0.79 POLB (0.44) KMT2AALDH1A1L3MBTL1NPSR1POLB
SCHEMBL14568587 0.79 CFTR (0.51) TACR1MEN1KMT2AALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 EP disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
EP-3044223-B1 2,3-DIHYDRO-1H-INDEN-1-ONE DERIVATIVES AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA) ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2020-04-01 EP disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 US disclosed
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2019-01-08 US disclosed
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-9359315-B2 Substituted 2,3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2016-06-07 US disclosed
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2015-03-12 US disclosed
US-7138411-B2 Substituted benzopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. (US) 2006-11-21 US disclosed
US-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885
US-10172866-B2 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 TACR1 220/4885MEN1 4337/4885KMT2A 3828/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 TACR1 904/4885MEN1 4565/4885KMT2A 2680/4885
US-20160213627-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885
US-20150072980-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC TACR1 926/4885MEN1 4193/4885KMT2A 1124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.