SCHEMBL4604720

SCHEMBL4604720

CCC(Oc1c(C(=O)c2ccccc2)sc2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOB P27338 4/20 0.45
NOD2 Q9HC29 1/20 0.43
CNR2 P34972 5/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MAOA P21397 1/20 0.41
CNR1 P21554 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CXCR2 P25025 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL4603305 0.92 MAOB (0.44) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4605346 0.92 GABRA1 (0.53) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4605351 0.90 ALDH1A1 (0.48) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4604072 0.88 MAOB (0.46) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4605028 0.87 KMT2A (0.49) LMNAALDH1A1KMT2ANOD2PPARG
SCHEMBL4606731 0.84 PTPN1 (0.52) LMNAALDH1A1KMT2AMAOBPPARG
SCHEMBL4606064 0.84 KMT2A (0.44) LMNAALDH1A1KMT2ANOD2PPARG
SCHEMBL4607155 0.83 GABRA1 (0.51) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4603775 0.83 MAOB (0.42) LMNAALDH1A1KMT2AMAOBNOD2
SCHEMBL4604924 0.81 KMT2A (0.46) LMNAALDH1A1KMT2AMAOBNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R LMNA 2810/4885ALDH1A1 1032/4885KMT2A 2846/4885

“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.