SCHEMBL1856596

SCHEMBL1856596

CC(C)Oc1ccc(C(=O)CC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
PARP10 Q53GL7 1/20 0.54
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
THRB P10828 1/20 0.50
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
MCL1 Q07820 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4633862 0.84 KMT2A (0.51) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL2092444 0.83 HTT (0.55) KMT2AALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL135620 0.81 HDAC3 (0.59) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL7629227 0.80 KMT2A (0.66) KMT2APARP10ALDH1A1TP53MAPT
SCHEMBL395103 0.80 GSK3B (0.48) KMT2AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL11099701 0.79 KMT2A (0.63) KMT2APARP10ALDH1A1TP53MAPT
SCHEMBL6577475 0.79 KMT2A (0.63) KMT2APARP10ALDH1A1TP53MAPT
SCHEMBL4859516 0.78 NPC1 (0.62) KMT2APARP10ALDH1A1TP53MAPT
SCHEMBL1461730 0.77 GSK3B (0.65) KMT2APARP10ALDH1A1TP53MAPT
SCHEMBL16914812 0.77 KMT2A (0.61) KMT2APARP10ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024103126-A1 TSPO LIGANDS THE UNIVERSITY OF SYDNEY (AU) 2024-05-23 WO disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
EP-0016277-B1 2-CARBONYL-3-HYDROXY-ALKENONITRILES, THEIR USE AS ANTI-ARTHRITIC AGENTS AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1981-12-02 EP disclosed
EP-0016277-A1 2-Carbonyl-3-hydroxy-alkenonitriles, their use as anti-arthritic agents and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-10-01 EP disclosed
WO-1980000964-A1 ANTI-INFLAMMATORY AGENTS INCLUDING 2-CARBONYL-3-HYDROXY-2-ALKENONITRILES AMERICAN CYANAMID CO (US) 1980-05-15 WO disclosed
US-4173650-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-11-06 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 KMT2A 2721/4885PARP10 3113/4885ALDH1A1 1232/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA KMT2A 3191/4885PARP10 2286/4885ALDH1A1 1049/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 KMT2A 2452/4885PARP10 2319/4885ALDH1A1 2163/4885

“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.