SCHEMBL4110835

SCHEMBL4110835

O=C(O)CC1SC(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
RECQL P46063 1/20 0.55
SLC8B1 Q6J4K2 1/20 0.55
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.38
PGR P06401 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 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
SCHEMBL4110842 1.00 MAPT (0.55) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4110833 1.00 MAPT (0.55) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4121440 0.91 MAPT (0.45) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4125136 0.91 MAPT (0.45) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4121444 0.91 MAPT (0.45) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4121445 0.91 MAPT (0.45) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4118501 0.87 GLA (0.43) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4118508 0.87 GLA (0.43) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL4118511 0.87 GLA (0.43) MAPTTSHRCYP2C9CYP2C19TP53
SCHEMBL14146204 0.87 GLA (0.42) MAPTTSHRCYP2C9CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP claimed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR MAPT 4428/4885TSHR 1672/4885CYP2C9 1280/4885

“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.