SCHEMBL5404742

SCHEMBL5404742

CCOC(=O)CC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66
MAPT P10636 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
POLB P06746 2/20 0.60
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 1/20 0.58
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL15724555 0.96 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL1233158 0.85 RAB9A (0.71) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL29205277 0.84 ALDH1A1 (0.69) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL6270218 0.83 RAB9A (0.63) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL16215180 0.82 ALDH1A1 (0.65) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL1285643 0.81 ALDH1A1 (0.73) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL679125 0.81 TSHR (0.69) ALDH1A1MAPTL3MBTL1SMN1; SMN2GAA
SCHEMBL31152634 0.81 ALDH1A1 (0.73) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL11464044 0.81 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL30730413 0.81 POLB (0.56) MEN1KMT2AALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160204-B Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2024-04-09 CN disclosed
CN-115160204-A Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2022-10-11 CN disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MEN1 2608/4885KMT2A 4517/4885ALDH1A1 745/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MEN1 2608/4885KMT2A 4517/4885ALDH1A1 745/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B MEN1 3054/4885KMT2A 4635/4885ALDH1A1 585/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R MEN1 2462/4885KMT2A 4387/4885ALDH1A1 705/4885

“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.