SCHEMBL6426562

SCHEMBL6426562

Nc1nn(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 1/20 0.52
KMT2A Q03164 2/20 0.51
KLKB1 P03952 7/20 0.47
KLK1 P06870 1/20 0.47
ADORA2A P29274 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA1 P30542 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.42
AADAT Q8N5Z0 2/20 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
SCHEMBL174972 0.89 PARP1 (0.62) ALDH1A1L3MBTL1PARP1KMT2AKLKB1
SCHEMBL16247044 0.84 KLKB1 (0.58) ALDH1A1L3MBTL1KMT2AKLKB1KDM4E
SCHEMBL16246925 0.84 KLKB1 (0.62) KLKB1KLK1
SCHEMBL4544356 0.82 ALDH1A1 (0.57) ALDH1A1L3MBTL1KMT2AKLKB1ADORA2A
SCHEMBL31058787 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1PARP1KMT2AKLKB1
SCHEMBL6052401 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1PARP1KMT2AKLKB1
SCHEMBL16246898 0.81 KLKB1 (0.57) KLKB1
SCHEMBL4265334 0.79 ALDH1A1 (0.78) ALDH1A1L3MBTL1PARP1KMT2AKLKB1
SCHEMBL8756843 0.78 ADORA2A (0.53) ALDH1A1L3MBTL1PARP1KMT2AADORA2A
SCHEMBL30730181 0.77 DGAT1 (0.55) ALDH1A1L3MBTL1PARP1KMT2AKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
CN-1960976-A 4-carbox pyrazole derivates useful as anti-viral agents SMITHKLINE BEECHAM CORP (US) 2007-05-09 CN disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
CN-1126753-C Anticonvulsant and antiallergic/antiasthmatic pyrazolo [3, 4-d ] pyrimidines DRESDEN ARZNEIMITTEL (DE) 2003-11-05 CN disclosed
CN-1275128-A Pyrazolo (3,4-D) pyrimidines with anticonvulsive and antialiergic/antiasthmatic action DRESDEN ARZNEIMITTEL (DE) 2000-11-29 CN 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-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 ALDH1A1 1597/4885L3MBTL1 489/4885PARP1 2395/4885

“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.