SCHEMBL5594010

SCHEMBL5594010

C[CH]OC(CCC)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 2/20 0.32
GLA P06280 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN7 P35236 1/20 0.31

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
SCHEMBL5133904 0.79 L3MBTL1 (0.40) KMT2AMEN1SLC6A2SLC6A4L3MBTL1
SCHEMBL28109564 0.74 L3MBTL1 (0.41) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL4911785 0.73 AOC3 (0.40) KMT2AMEN1SLC6A2SLC6A4TSHR
SCHEMBL5073314 0.72 L3MBTL1 (0.39) KMT2AMEN1SLC6A2SLC6A4L3MBTL1
SCHEMBL1287682 0.71 KMT2A (0.38) KMT2AMEN1SLC6A2SLC6A4L3MBTL1
SCHEMBL29013573 0.71 KMT2A (0.46) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL28109566 0.70 HCAR2 (0.44) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL5133451 0.70 MEN1 (0.40) KMT2AMEN1SLC6A2SLC6A4L3MBTL1
SCHEMBL1152090 0.70 SLC6A2 (0.38) KMT2AMEN1SLC6A2SLC6A4L3MBTL1
SCHEMBL222564 0.70 KMT2A (0.39) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US claimed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US claimed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US claimed
US-6613789-B2 Especially for treating arthritis, pain and fever G. D. SEARLE & CO. 2003-09-02 US claimed
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2003-02-20 US claimed
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO claimed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP claimed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US claimed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-7220770-B2 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2007-05-22 US disclosed
US-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation KHANNA ISH K 2005-11-17 US disclosed
US-6960611-B2 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDICA (CN) 2005-11-01 US disclosed
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation G.D. SEARLE & CO. 2005-05-05 US disclosed
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof INSTITUTE OF MATERIA MEDIC, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2004-03-25 US disclosed
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
US-5616601-A 1,2-aryl and heteroaryl substituted imidazolyl compounds for the treatment of inflammation GD SEARLE & CO (US) 1997-04-01 US disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO 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 (4 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-20050256120-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation LTC4S, HRH4, LTB4R2 KMT2A 2915/4885MEN1 4754/4885SLC6A2 2867/4885
US-20030036557-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HCK, IL4I1, AHR KMT2A 3035/4885MEN1 4859/4885SLC6A2 3286/4885
US-20050096368-A1 Heterocyclo-substituted imidazoles for the treatment of inflammation HRH4, LTC4S, HCAR3 KMT2A 3039/4885MEN1 4787/4885SLC6A2 2994/4885
US-20040058977-A1 Sulfonyl-containing 2,3-diarylindole compounds, methods for making same, and methods of use thereof PTGS2, PTGES2, PTGER2 KMT2A 3011/4885MEN1 3240/4885SLC6A2 1864/4885

“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.