SCHEMBL4604356

SCHEMBL4604356

O=C(O)CCCOc1c(C(=O)c2ccc(Cl)cc2)sc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRA5 P31644 1/20 0.55
SENP5 Q96HI0 2/20 0.47
SENP2 Q9HC62 2/20 0.47
SENP1 Q9P0U3 2/20 0.47
CXCR2 P25025 1/20 0.43
PPARA Q07869 1/20 0.43
MAOB P27338 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
MCL1 Q07820 2/20 0.41
CYP1A2 P05177 1/20 0.41
OGG1 O15527 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL4604716 0.97 GABRA1 (0.54) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4606256 0.95 GABRA1 (0.53) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4605404 0.92 PPARA (0.48) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4604089 0.88 SENP5 (0.47) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4603929 0.88 PPARA (0.53) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4604559 0.87 PPARA (0.52) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4604908 0.85 PPARA (0.48) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4605712 0.84 PPARA (0.47) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4603123 0.82 GABRA1 (0.56) GABRA1GABRA5SENP5SENP2SENP1
SCHEMBL4604177 0.81 SENP2 (0.58) GABRA1GABRA5SENP5SENP2SENP1

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 GABRA1 761/4885GABRA5 1084/4885SENP5 3478/4885

“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.