SCHEMBL6069435

SCHEMBL6069435

N#Cc1ccc(F)cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.47
CNR2 P34972 7/20 0.47
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
VCAM1 P19320 1/20 0.39
CYP11B2 P19099 1/20 0.39
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21131569 0.82 TRPV4 (0.45) KDM4ECYP11B2ALDH1A1CYP1A2HPGD
SCHEMBL31339485 0.78 TP53 (0.47) CNR1KDM4ENPC1TP53RAB9A
SCHEMBL31339488 0.78 TP53 (0.47) CNR1KDM4ENPC1TP53RAB9A
SCHEMBL2198533 0.78 CYP11B2 (0.46) CNR1CNR2KDM4EVCAM1CYP11B2
SCHEMBL24084271 0.75 AR (0.42) CNR1CNR2KDM4ECYP11B2ALDH1A1
SCHEMBL3480466 0.75 CYP11B2 (0.54) CNR1CNR2KDM4EMAPTTDP1
SCHEMBL221378 0.74 TRPV4 (0.57) CYP11B2
SCHEMBL101711 0.73 TRPV4 (0.61) KDM4EMAPTTDP1TP53VCAM1
SCHEMBL13907547 0.73 TSHR (0.50) CNR1KDM4EMAPTTDP1NPC1
SCHEMBL24084272 0.72 CYP11B2 (0.38) CNR1CNR2CYP11B2

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-6989382-B2 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-01-24 US disclosed
EP-1556355-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-07-27 EP disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 WO 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-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP CNR1 1837/4885CNR2 2296/4885KDM4E 2464/4885

“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.