SCHEMBL4925516

SCHEMBL4925516

COc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3cc(Br)ccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS2 P35354 2/20 0.47

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
Hydrochloric Acid SCHEMBL4928588 0.99 KMT2A (0.48) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4931985 0.94 PTGS2 (0.48) NPSR1PTGS2
Hydrochloric Acid SCHEMBL4931870 0.93 PTGS2 (0.47) NPSR1PTGS2
SCHEMBL4921552 0.91 KMT2A (0.52) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
Hydrochloric Acid SCHEMBL4921902 0.90 KMT2A (0.51) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL14463472 0.90 PTGDR2 (0.44) NPSR1PTGS2
SCHEMBL4929604 0.86 KMT2A (0.51) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4930233 0.85 CYP1A2 (0.53) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4924964 0.85 KMT2A (0.52) KMT2ASMN1; SMN2L3MBTL1HTTNPSR1
SCHEMBL4929768 0.85 PTGDR2 (0.57) KMT2ASMN1; SMN2L3MBTL1PTGS2

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 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.