SCHEMBL4883435

SCHEMBL4883435

CC(C)(C)n1ncc(-c2ccccc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 17/20 0.54
RAB9A P51151 16/20 0.54
SMN1; SMN2 Q16637 7/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
HPGD P15428 5/20 0.50
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 2/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL23401038 0.79 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13737154 0.76 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL544930 0.75 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL23403250 0.68 HTR2A (0.40) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL25138723 0.67 HPGD (0.33) SMN1; SMN2HPGDALDH1A1
SCHEMBL9218801 0.67 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9877609 0.66 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11699497 0.66 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17619455 0.66 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL15158515 0.66 CYP11B2 (0.46) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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-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 1982/4885SMN1; SMN2 1071/4885

“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.