SCHEMBL1936237

SCHEMBL1936237

O=C(O)NCc1ccc(CNCc2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 2/20 0.54
HSD17B10 Q99714 2/20 0.51
MMP13 P45452 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
NAMPT P43490 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL334662 0.92 GAA (0.64) GAAALDH1A1MAPTHTTHSD17B10
SCHEMBL30437853 0.92 GAA (0.64) GAAALDH1A1MAPTHTTHSD17B10
Hydrochloric Acid SCHEMBL7601454 0.90 GAA (0.62) GAAALDH1A1MAPTHTTHSD17B10
Carbamic Acid SCHEMBL31088316 0.87 GAA (0.58) GAAALDH1A1MAPTHTTHSD17B10
SCHEMBL10054983 0.82 SLC2A4 (0.59) GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL11533429 0.82 CYP2C9 (0.65) GAAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL19133494 0.81 ALDH1A1 (0.65) GAAALDH1A1MAPTHTTMMP13
Gapicomine SCHEMBL1037773 0.79 SLC2A4 (0.61) GAAALDH1A1HSD17B10
SCHEMBL184560 0.79 HTT (0.59) ALDH1A1HTTSMN1; SMN2L3MBTL1LMNA
SCHEMBL21065527 0.78 HTT (0.68) GAAALDH1A1MAPTHTTHSD17B10

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-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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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 GAA 4560/4885ALDH1A1 3283/4885MAPT 2733/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 GAA 4464/4885ALDH1A1 3363/4885MAPT 2466/4885

“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.