SCHEMBL2962004

SCHEMBL2962004

OCN1CCNCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
PNMT P11086 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 7/20 0.40
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
CXCR4 P61073 2/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37

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 SCHEMBL5848306 0.85 MEN1 (0.46) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL18322642 0.83 ALDH1A1 (0.42) MEN1KMT2AALOX15USP2ALDH1A1
Hydrochloric Acid SCHEMBL5849987 0.80 SIGMAR1 (0.50) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL5787260 0.79 ADRA1D (0.39) MEN1KMT2AALOX15USP2ALDH1A1
Hydrochloric Acid SCHEMBL5848138 0.79 ALDH1A1 (0.44) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL15522880 0.79 MEN1 (0.67) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL15523667 0.77 MEN1 (0.50) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL11768786 0.76 ALDH1A1 (0.47) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL1027312 0.76 ALDH1A1 (0.70) MEN1KMT2AALOX15USP2ALDH1A1
SCHEMBL5848149 0.74 KMT2A (0.46) MEN1KMT2AALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 US disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO 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-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A MEN1 3414/4885KMT2A 4159/4885ALOX15 1907/4885

“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.