SCHEMBL959384

SCHEMBL959384

Clc1cccc(Oc2cccc(Cl)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAP4K4 O95819 1/20 0.55
F2 P00734 2/20 0.44
F10 P00742 2/20 0.44
EGFR P00533 2/20 0.43
LCK P06239 1/20 0.41
GRM5 P41594 2/20 0.41
BRAF P15056 1/20 0.41
RHEB Q15382 2/20 0.41
PPARG P37231 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 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
SCHEMBL9490952 0.90 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL9494460 0.85 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL2144034 0.82 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL17609022 0.82 L3MBTL1 (0.55) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL10544428 0.82 CYP1A2 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL959837 0.82 L3MBTL1 (0.62) L3MBTL1MAP4K4F2F10BRAF
SCHEMBL8115420 0.82 MAP4K4 (0.59) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL10544419 0.82 CYP1A2 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4
SCHEMBL9491757 0.82 L3MBTL1 (0.53) L3MBTL1MAP4K4F2F10PPARG
SCHEMBL9493641 0.81 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 L3MBTL1 4361/4885CYP1A2 1185/4885CYP2C9 2323/4885

“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.