SCHEMBL958637

SCHEMBL958637

CCOC(=O)c1cccc(-c2cccc(Nc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.48
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 2/20 0.44
CYP1A2 P05177 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
CDC25B P30305 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL961208 0.84 CNR1 (0.49) BRAFLMNACNR1GABRA2GABRB2
SCHEMBL962004 0.83 MRGPRX4 (0.51) RAB9ANPC1KDM4ECNR1EPHB4
SCHEMBL959317 0.79 GPR52 (0.52) CNR1EPHB4TEKPOLB
SCHEMBL961086 0.77 TDP1 (0.51) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL959458 0.76 ABL1 (0.43) MAPTLMNAKDM4ECNR1CYP1A2
SCHEMBL1553909 0.75 PIK3CA (0.52) BRAFMAPTTP53LMNATHRB
SCHEMBL12812376 0.73 CYP1A2 (0.54) TP53RAB9ACYP1A2POLB
SCHEMBL4901644 0.72 TP53 (0.50) BRAFMAPTTP53LMNATHRB
SCHEMBL1513225 0.72 GABRA2 (0.54) SMN1; SMN2GABRA2GABRB2
SCHEMBL959440 0.72 JMJD6 (0.52) MAPTTP53LMNATHRBRAB9A

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 BRAF 3604/4885MAPT 4154/4885TP53 4432/4885

“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.