SCHEMBL2236862

SCHEMBL2236862

NCc1ccc(CNCc2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.70
SLC2A4 P14672 1/20 0.55
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TPSAB1 Q15661 2/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HRH3 Q9Y5N1 1/20 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
Hydrochloric Acid SCHEMBL1936663 0.98 LOXL2 (0.67) LOXL2SLC2A4NOS3NOS2GAA
SCHEMBL10054983 0.89 SLC2A4 (0.59) LOXL2SLC2A4GAASMN1; SMN2ALDH1A1
Gapicomine SCHEMBL1037773 0.86 SLC2A4 (0.61) LOXL2SLC2A4NOS3NOS2GAA
Gapicomine SCHEMBL9336954 0.84 SLC2A4 (0.59) LOXL2SLC2A4GAASMN1; SMN2MEN1
Gapicomine SCHEMBL6121683 0.84 SLC2A4 (0.59) LOXL2SLC2A4GAASMN1; SMN2MEN1
SCHEMBL41000 0.83
SCHEMBL26781387 0.82 LOXL2 (0.54) LOXL2SLC2A4NOS3NOS2GAA
SCHEMBL14428882 0.82 LOXL2 (0.61) LOXL2GAASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL17337033 0.81 LOXL2 (0.94) LOXL2ALDH1A1HRH3
Hydrochloric Acid SCHEMBL2674696 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LOXL2 2034/4885SLC2A4 4289/4885NOS3 621/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 LOXL2 2093/4885SLC2A4 4199/4885NOS3 617/4885

“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.