SCHEMBL3236512

SCHEMBL3236512

CN(Cc1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HPGD P15428 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
MTOR P42345 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RIPK1 Q13546 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL23997228 0.86 ALDH1A1 (0.59) RAB9ANPC1CA12CA9HPGD
SCHEMBL7026540 0.85 KMT2A (0.56) RAB9ANPC1CA12CA9HPGD
SCHEMBL1893045 0.83 PYCR1 (0.52) RAB9ANPC1CA12CA9HPGD
SCHEMBL26087008 0.83 ALDH1A1 (0.56) RAB9ANPC1CA12CA9HPGD
SCHEMBL1935803 0.81 RAB9A (0.52) RAB9ANPC1CA12CA9HPGD
SCHEMBL11209189 0.81 RAB9A (0.52) RAB9ANPC1CA12CA9HPGD
SCHEMBL180384 0.80 NPC1 (0.73) RAB9ANPC1CA12CA9HPGD
SCHEMBL4806015 0.79 RAB9A (0.50) RAB9ANPC1CA12CA9HPGD
SCHEMBL23275292 0.79 RAB9A (0.50) RAB9ANPC1CA12CA9HPGD
SCHEMBL26086763 0.79 TPSAB1 (0.55) RAB9ANPC1CA12CA9HPGD

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 2 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
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 (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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 RAB9A 2719/4885NPC1 2189/4885CA12 4086/4885

“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.