SCHEMBL3462801

SCHEMBL3462801

CNC(=O)[CH]Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
MAOB P27338 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
ALOX5 P09917 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GSK3B P49841 1/20 0.52
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 2/20 0.52
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL6582849 0.84 MAOB (0.43) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL3090267 0.84 NPC1 (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2860635 0.81 KDM4E (0.49) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL7368375 0.78 KDM4E (0.46) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5928771 0.78 ALOX5 (0.64) NPC1RAB9AMAOBNR4A1NR4A2
SCHEMBL7408308 0.77 LTA4H (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PARP10
SCHEMBL8190122 0.77 PARP10 (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL42303 0.76 BCHE (0.65) RAB9AMAOBNR4A1NR4A2NR4A3
SCHEMBL6176427 0.76 NPC1 (0.55) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6176435 0.76 NPC1 (0.55) NPC1RAB9ACASP3SENP8SENP7

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-7795448-B2 Imidazoyl-benzamide anti-cancer agents CYTOKINETICS, INCORPORATED (US) 2010-09-14 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 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-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NPC1 835/4885RAB9A 1213/4885CASP3 2838/4885

“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.