SCHEMBL7344856

SCHEMBL7344856

COc1ccc2ccc(C#N)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.45
GUSB P08236 2/20 0.44
TDO2 P48775 4/20 0.41
IDO1 P14902 3/20 0.41
NCEH1 Q6PIU2 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
PDE5A O76074 2/20 0.40
KDM1A O60341 1/20 0.39
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
COQ8A Q8NI60 1/20 0.39
NLK Q9UBE8 1/20 0.39
TDP2 O95551 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7723749 0.81 AR (0.50) ARNCEH1CA1CA2ACHE
SCHEMBL7337530 0.81 AR (0.46) ARTDO2IDO1NCEH1CA1
SCHEMBL7336198 0.80 AR (0.45) ARNCEH1CA1CA2ACHE
SCHEMBL7341643 0.80 AR (0.45) ARNCEH1CA1CA2ACHE
SCHEMBL7720296 0.78 CA9 (0.46) ARNCEH1CA1CA2PDE5A
SCHEMBL7725096 0.78 AR (0.41) ARGUSBNCEH1CA1CA2
SCHEMBL6100006 0.78 ACHE (0.57) ARGUSBCA1CA2ACHE
SCHEMBL7723766 0.78 AR (0.43) ARCA1CA2ACHEPDE5A
SCHEMBL388024 0.77 AR (0.51) ARCA1CA2TDP2
SCHEMBL7724994 0.76 CA1 (0.44) ARNCEH1CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358995-B1 AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. EISAI CO., LTD. (JP) 2002-03-19 US disclosed
US-20010049374-A1 Urokinase inhibitors STEELE ANDREW W (US) 2001-12-06 US disclosed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed
US-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed
US-6121309-A SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM EISAI CO., LTD. (JP) 2000-09-19 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP 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 (1 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-20010049374-A1 Urokinase inhibitors SERPINE1, PLAU, SERPINB1 AR 4226/4885GUSB 222/4885TDO2 4053/4885

“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.