SCHEMBL5138822

SCHEMBL5138822

O=C(O)C(=Cc1ccc(OCCN2CCSc3ccccc32)cc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NOTUM Q6P988 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5138818 1.00 MAPT (0.46) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL5138825 1.00 MAPT (0.46) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL14265711 0.89 MAPT (0.47) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL5107361 0.89 MAPT (0.49) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL5114537 0.89 MAPT (0.49) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL5107363 0.89 MAPT (0.49) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL14265695 0.83 MAPT (0.49) MAPTTP53LMNAALDH1A1THRB
SCHEMBL5107687 0.81 KMT2A (0.42) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL5107694 0.81 KMT2A (0.42) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL5113624 0.81 KMT2A (0.42) MAPTLMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543194-A 2002-12-17 JP claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 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 (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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 MAPT 209/4885TP53 3892/4885LMNA 664/4885

“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.