SCHEMBL4840584

SCHEMBL4840584

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc1)NC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TRPV1 Q8NER1 4/20 0.48
ABL1 P00519 12/20 0.47
KCNH2 Q12809 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL4840565 1.00 NPC1 (0.51) NPC1RAB9ATRPV1ABL1KCNH2
SCHEMBL4846819 0.93 TRPV1 (0.46) NPC1RAB9ATRPV1
SCHEMBL4846828 0.93 TRPV1 (0.46) NPC1RAB9ATRPV1
SCHEMBL4839109 0.93 RAB9A (0.49) NPC1RAB9A
SCHEMBL4839102 0.93 RAB9A (0.49) NPC1RAB9A
SCHEMBL4841961 0.93 RAB9A (0.49) NPC1RAB9AABL1
SCHEMBL4841947 0.93 RAB9A (0.49) NPC1RAB9AABL1
SCHEMBL4844437 0.92 KMT2A (0.47) NPC1RAB9A
SCHEMBL4844449 0.92 KMT2A (0.47) NPC1RAB9A
SCHEMBL4839934 0.92 NPC1 (0.57) NPC1RAB9ATRPV1ABL1

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NPC1 985/4885RAB9A 2220/4885TRPV1 1672/4885

“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.