SCHEMBL6685459

SCHEMBL6685459

NC(=O)c1ccc(N2CCCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(NC(=O)NC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
POLB P06746 1/20 0.46
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 3/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL6697431 0.95 NPC1 (0.42) NPC1RAB9APOLBCNR1CNR2
SCHEMBL6698648 0.93 NPC1 (0.44) NPC1RAB9APOLBCNR1CNR2
SCHEMBL6686297 0.88 HTT (0.55) CNR1CNR2NPSR1HTTGAA
SCHEMBL6689954 0.84 MAPT (0.49) NPC1RAB9APOLBNPSR1HTT
SCHEMBL6699286 0.84 NPC1 (0.44) NPC1RAB9APOLBCNR1CNR2
SCHEMBL6684975 0.80 NPSR1 (0.48) NPC1RAB9APOLBNPSR1HTT
SCHEMBL6687497 0.80 MAPT (0.52) NPC1RAB9APOLBHTTGAA
SCHEMBL29968257 0.80 NPSR1 (0.48) NPC1RAB9APOLBNPSR1HTT
SCHEMBL29968689 0.80 MAPT (0.52) NPC1RAB9APOLBHTTGAA
SCHEMBL6690717 0.80 MAPT (0.45) POLBNPSR1HTTGAATP53

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-25 US claimed
WO-2004087685-A2 PHOSPHOLIPASE C INHIBITORS FOR USE IN TREATING INFLAMMATORY DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2004-10-14 WO claimed

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-20040235855-A1 Phospholipase C inhibitors for use in treating inflammatory disorders PLA2G4C, PLA2G4B, PLA2G5 NPC1 1212/4885RAB9A 1555/4885POLB 2032/4885

“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.