SCHEMBL4882866

SCHEMBL4882866

O=C(Nc1ccccc1)Nc1c(-c2ccccc2)nc2n1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.48
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41

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
SCHEMBL4882889 0.81 WDR5 (0.47) NTRK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4880503 0.76 KCNQ2 (0.47) NTRK1ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL4876069 0.71 ALDH1A1 (0.43) NTRK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11485609 0.70 TGFBR1 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL991856 0.69 NPC1 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4882676 0.69 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL9699916 0.69 PDE10A (0.47) ALDH1A1SMN1; SMN2TP53MAPK1NPC1
SCHEMBL14278537 0.68 TGFBR1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL11474630 0.66 HPGD (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4839190 0.65 NPC1 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2TP53

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 claimed
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 claimed
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 NTRK1 492/4885CNR1 16/4885ALDH1A1 1371/4885

“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.