SCHEMBL2885976

SCHEMBL2885976

CN(C)/C=C/c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
KIF11 P52732 2/20 0.39
P4HB P07237 2/20 0.38
APP P05067 1/20 0.36
RAD51 Q06609 1/20 0.35
AR P10275 5/20 0.34
ESRRB O95718 1/20 0.33
ESR1 P03372 1/20 0.33
ESRRA P11474 1/20 0.33
ESRRG P62508 1/20 0.33
ESR2 Q92731 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CYP19A1 P11511 1/20 0.32
SLC22A12 Q96S37 2/20 0.32

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
SCHEMBL2460414 1.00 TRPV4 (0.43) TRPV4KIF11P4HBAPPRAD51
SCHEMBL170120 0.80 RAD51 (0.37) KIF11P4HBAPPRAD51
SCHEMBL2464723 0.76 ALDH1A1 (0.43) APPRAD51AR
SCHEMBL2886893 0.76 ALDH1A1 (0.43) APPRAD51AR
SCHEMBL395034 0.76 RAD51 (0.36) APPRAD51
SCHEMBL30792697 0.76 TRPV4 (0.53) TRPV4KIF11P4HBRAD51AR
SCHEMBL395035 0.76 RAD51 (0.36) APPRAD51
SCHEMBL1134140 0.76 TRPV4 (0.53) TRPV4KIF11P4HBRAD51AR
SCHEMBL1738113 0.75 P4HB (0.48) TRPV4KIF11P4HBAPPRAD51
SCHEMBL1738112 0.75 P4HB (0.48) TRPV4KIF11P4HBAPPRAD51

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-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 US disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US 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-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF QDPR, NQO1, NAT1 TRPV4 768/4885KIF11 4462/4885P4HB 2372/4885

“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.