SCHEMBL4924964

SCHEMBL4924964

COc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL4931851 0.99 KMT2A (0.50) KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4930233 0.95 CYP1A2 (0.53) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4931954 0.93 KMT2A (0.52) KMT2ASMN1; SMN2L3MBTL1NPSR1CYP1A2
SCHEMBL4921552 0.91 KMT2A (0.52) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4925606 0.91 DRD2 (0.52) SMN1; SMN2
SCHEMBL4930107 0.90 TP53 (0.50) KMT2AHTTNPSR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4921902 0.90 KMT2A (0.51) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4929604 0.90 KMT2A (0.51) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL29434809 0.89 HTT (0.46) HTTNPSR1
SCHEMBL4921823 0.89 PTGDR2 (0.51)

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
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
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 KMT2A 1963/4885SMN1; SMN2 4521/4885L3MBTL1 4264/4885

“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.