SCHEMBL4882676

SCHEMBL4882676

Nc1c(-c2ccccc2)nc2n1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HSD17B10 Q99714 4/20 0.48
HTT P42858 4/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL11485609 0.81 TGFBR1 (0.57) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL991856 0.80 NPC1 (0.65) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL11474630 0.77 HPGD (0.54) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL4839190 0.75 NPC1 (0.59) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL9752587 0.75 PDE10A (0.60) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL14278537 0.72 TGFBR1 (0.52) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL15452608 0.71 TGFBR1 (0.72) ALDH1A1KMT2AMEN1HSD17B10HTT
SCHEMBL9524935 0.71 TGFBR1 (0.50) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL20575611 0.70 TGFBR1 (0.55) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL4882866 0.69 NTRK1 (0.48) ALDH1A1KMT2AMEN1HSD17B10HTT

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 ALDH1A1 1371/4885KMT2A 3086/4885MEN1 2666/4885

“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.