SCHEMBL4930107

SCHEMBL4930107

COc1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4921823 0.95 PTGDR2 (0.51) TP53
SCHEMBL4931954 0.93 KMT2A (0.52) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL4931851 0.91 KMT2A (0.50) KMT2A
SCHEMBL4924964 0.90 KMT2A (0.52) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL4930233 0.86 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19HTT
SCHEMBL4929819 0.84 RAB9A (0.51) TP53MAPTMEN1HTTKMT2A
SCHEMBL4930986 0.84 CYP1A2 (0.48) TP53CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4925701 0.83 PTGDR2 (0.50) MEN1KMT2A
SCHEMBL14463800 0.83 ALDH1A2 (0.48) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4929768 0.81 PTGDR2 (0.57) TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 TP53 2793/4885POLB 4843/4885MAPT 4574/4885

“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.