SCHEMBL6253115

SCHEMBL6253115

O=Cc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
ELANE P08246 1/20 0.50
CDC25B P30305 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPRC P08575 5/20 0.48
S100A4 P26447 3/20 0.48
LMNA P02545 3/20 0.48
PLA2G1B P04054 3/20 0.48
ATG4B Q9Y4P1 3/20 0.48
APAF1 O14727 2/20 0.48
TDP2 O95551 2/20 0.48

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
SCHEMBL2372163 0.98 MEN1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL30434925 0.98 MEN1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7551452 0.96 MEN1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL27878197 0.91 MAOA (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL23598506 0.87 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL6556666 0.87 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20724667 0.87 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL20724666 0.87 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
Fluorene SCHEMBL6852310 0.86 MAOA (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL9100646 0.82 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223517-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS TRANSFUSION HEALTH, LLC (US) 2020-11-05 WO disclosed
WO-2020186840-A1 COMPOUND CONTAINING FLUORENE RING STRUCTURE AND APPLICATION THEREOF 广州同隽医药科技有限公司 2020-09-24 WO disclosed
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1392643-A2 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS Abbott Laboratories (US) 2004-03-03 EP disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
WO-2002094767-A2 TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LABORATORIES (US) 2002-11-28 WO disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 US disclosed
EP-1023293-A4 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-20 EP disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 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 (2 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 NPC1 4035/4885RAB9A 2807/4885ALDH1A1 404/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 NPC1 4215/4885RAB9A 2982/4885ALDH1A1 392/4885

“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.