SCHEMBL4882825

SCHEMBL4882825

CCOC(=O)/C=C/c1cn(Cc2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP19A1 P11511 1/20 0.44
BRD4 O60885 9/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
PTGS2 P35354 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
Hydrochloric Acid SCHEMBL8316038 0.76 SMN1; SMN2 (0.48) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8316036 0.76 SMN1; SMN2 (0.48) NPC1RAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL4882843 0.76 BRD4 (0.45) CYP19A1BRD4CCNCCDK8
SCHEMBL20558910 0.76 OPRD1 (0.48) NPC1RAB9ABRD4MAPTPOLB
SCHEMBL4882835 0.76 BRD4 (0.45) CYP19A1BRD4CCNCCDK8
SCHEMBL4882456 0.76 BRD4 (0.49) NPC1RAB9ABRD4SMN1; SMN2ALDH1A1
SCHEMBL11213462 0.74 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10629219 0.74 BACE1 (0.58) MAPTPOLBSMN1; SMN2ALDH1A1F2RL3
SCHEMBL10629344 0.74 BACE1 (0.58) MAPTPOLBSMN1; SMN2ALDH1A1F2RL3
SCHEMBL11213459 0.74 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN NPC1 781/4885RAB9A 1982/4885CYP19A1 823/4885

“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.