SCHEMBL958740

SCHEMBL958740

Cc1ccc(C(=O)NCCC#N)cc1-c1cccc(Oc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 1/20 0.40
CFTR P13569 1/20 0.39
BRD4 O60885 1/20 0.38
PTGDR Q13258 3/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EZH2 Q15910 3/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARD Q03181 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL961523 0.90 SLC6A2 (0.39) KMT2AKDM4EMEN1MAPK1SLC6A2
SCHEMBL958269 0.89 GPR52 (0.43) KMT2AKDM4EMEN1MAPK1SLC6A2
SCHEMBL962542 0.82 KDR (0.43) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL963563 0.82 MRGPRX4 (0.39) MAPK1HPGDSMN1; SMN2ALDH1A1PPARD
SCHEMBL961559 0.81 L3MBTL1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL958590 0.81 MRGPRX4 (0.52) KDM4EPTGDRHPGDALDH1A1MRGPRX4
SCHEMBL959528 0.81 GPR52 (0.45) SLC6A2SLC6A4SLC6A3KCNH2ALDH1A1
SCHEMBL963502 0.79 GPR52 (0.46) KMT2AKDM4EMEN1HPGDSMN1; SMN2
SCHEMBL961939 0.79 GPR52 (0.48) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL960594 0.79 CTSL (0.44) KMT2AMEN1SLC6A2SLC6A4SLC6A3

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
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 KMT2A 1314/4885KDM4E 2642/4885MEN1 4161/4885

“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.