SCHEMBL6419486

SCHEMBL6419486

C=CCNC1=CC(=O)CC(CC=C)(CC=C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
APEX1 P27695 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
SENP8 Q96LD8 1/20 0.30

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
SCHEMBL9463284 0.72
SCHEMBL9497640 0.70
SCHEMBL11123410 0.70 POLB (0.51) LMNAKMT2AMEN1MAPTGAA
SCHEMBL7535426 0.62
SCHEMBL10676973 0.61 KDM4E (0.39) LMNATSHRCYP2C19KDM4EALDH1A1
SCHEMBL8927443 0.61
SCHEMBL12869168 0.58 LMNA (0.83) LMNAKMT2AMEN1APEX1MAPT
SCHEMBL2227437 0.58 ALDH1A1 (0.31) LMNAKMT2AKDM4EMITFNSD2
SCHEMBL486694 0.57 LMNA (0.74) LMNAKMT2AMEN1APEX1MAPT
SCHEMBL19974177 0.56 HIF1A (0.40) KMT2AMEN1MAPTTSHRALDH1A1

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-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 US disclosed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 WO disclosed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO disclosed
US-6069248-A ANGIOTENSIN RELATED HYPOTENSIVE AGENTS; CAPTOPRIL MIMICS; KINETICS AXYS PHARMACEUTICALS, INC. (US) 2000-05-30 US disclosed
WO-2000011005-A1 PROCESS FOR THE SYNTHESIS OF TRIAZOLOPYRIDAZINE COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 2000-03-02 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 (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-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT LMNA 1424/4885KMT2A 1317/4885MEN1 2391/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 LMNA 970/4885KMT2A 2549/4885MEN1 684/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 LMNA 1717/4885KMT2A 1207/4885MEN1 2151/4885

“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.