SCHEMBL4017346

SCHEMBL4017346

CN(Cc1ccccc1)C(=O)/C=C/C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.53
HPGD P15428 2/20 0.51
RIPK1 Q13546 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
TSPO P30536 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL10181786 0.87 NPC1 (0.58) NPC1RAB9ACA12CA9KMT2A
SCHEMBL23252470 0.87 NPC1 (0.58) NPC1RAB9ACA12CA9KMT2A
SCHEMBL21872480 0.86 NPC1 (0.56) NPC1RAB9ACA12CA9KMT2A
SCHEMBL5205176 0.85 NPC1 (0.60) NPC1RAB9ACA12CA9KMT2A
SCHEMBL4022321 0.85 MAPT (0.71) NPC1RAB9AMAPTALDH1A1
SCHEMBL4022324 0.85 MAPT (0.71) NPC1RAB9AMAPTALDH1A1
Dibemethine SCHEMBL9416516 0.85 NPC1 (0.63) NPC1RAB9ACA12CA9KMT2A
Dibemethine SCHEMBL9416520 0.85 NPC1 (0.63) NPC1RAB9ACA12CA9KMT2A
SCHEMBL12172749 0.85 MAPT (0.71) NPC1RAB9AMAPTALDH1A1
SCHEMBL21226256 0.84 NPC1 (0.54) NPC1RAB9ACA12CA9KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers ISP INVESTMENTS LLC (US) 2024-02-27 US disclosed
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 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 (2 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-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers MMAB, PCNA, HMBS NPC1 4879/4885RAB9A 3875/4885CA12 1204/4885
US-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP NPC1 2408/4885RAB9A 1761/4885CA12 923/4885

“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.