SCHEMBL4838287

SCHEMBL4838287

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)c3cccc(OC(F)(F)F)c3)c1)NC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.46
BRAF P15056 2/20 0.44
PTPN1 P18031 1/20 0.44
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 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
SCHEMBL4838274 1.00 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4839923 0.94 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4839934 0.94 NPC1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4837732 0.94 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4837741 0.94 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4841961 0.94 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4841947 0.94 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4844284 0.91 RXFP1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4844272 0.91 RXFP1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4842225 0.90 RXFP1 (0.49) NPC1RAB9ABRAFKCNK3KCNK9

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 2220/4885SMN1; SMN2 144/4885

“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.