SCHEMBL960377

SCHEMBL960377

N#CCCNC(=O)c1cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
SCN9A Q15858 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABL1 P00519 1/20 0.36
PNLIP P16233 1/20 0.36
ATM Q13315 1/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL962006 0.89 GPR52 (0.48) P2RX7SCN9AGPR52FFAR4MRGPRX4
SCHEMBL959528 0.89 GPR52 (0.45) SCN9AGPR52MRGPRX4ALDH1A1
SCHEMBL963563 0.86 MRGPRX4 (0.39) GPR52MRGPRX4TDP1ATMCNR1
SCHEMBL961523 0.84 SLC6A2 (0.39) SCN9AGPR52MRGPRX4MEN1KMT2A
SCHEMBL962542 0.84 KDR (0.43) GPR52MRGPRX4MEN1KMT2ANPC1
SCHEMBL959429 0.81 MRGPRX4 (0.49) SCN9AFFAR4MRGPRX4HPGDALDH1A1
SCHEMBL963502 0.80 GPR52 (0.46) GPR52MEN1KMT2ATDP1ABL1
SCHEMBL958740 0.78 KMT2A (0.41) SCN9AMRGPRX4MEN1KMT2ANPC1
SCHEMBL959117 0.78 MAPT (0.49) SCN9AFFAR4MRGPRX4TDP1NPC1
SCHEMBL960594 0.78 CTSL (0.44) GPR52MRGPRX4MEN1KMT2ACNR1

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 P2RX7 330/4885SCN9A 1152/4885GPR52 23/4885

“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.