SCHEMBL554787

SCHEMBL554787

COc1ccc(Cc2nc(C(=O)O)co2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.54
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LDHA P00338 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1975554 0.87 KLKB1 (0.56) KLKB1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL27912754 0.84 ALDH1A1 (0.46) KLKB1ALDH1A1HPGDMAPTGAA
SCHEMBL11910638 0.82 CES1 (0.50) KLKB1TDP1ALDH1A1HPGDTSHR
SCHEMBL17931593 0.81 P4HTM (0.53) LMNAHDAC6
SCHEMBL11910637 0.75 DAGLA (0.55) KLKB1ALDH1A1MAPTLMNAPOLB
SCHEMBL31604697 0.75 HDAC1 (0.72) ALDH1A1HPGDMAPTRECQLHDAC1
SCHEMBL3558466 0.73 HCAR2 (0.45) TDP1L3MBTL1LMNATSHRPOLB
SCHEMBL21333174 0.73 DAGLA (0.52) KLKB1SMN1; SMN2MAPTLMNATSHR
SCHEMBL15931718 0.72 ALDH1A1 (0.58) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL11630361 0.72 P4HTM (0.55) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
US-8232302-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 WO disclosed
US-20110144123-A1 Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 US disclosed
US-7846951-B2 Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
EP-2140865-A1 Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2010-01-06 EP disclosed
EP-1682127-B1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2009-07-29 EP disclosed
US-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-01-15 US disclosed
US-7407976-B2 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-08-05 US disclosed
EP-1682127-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-07-26 EP disclosed
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-06-16 US disclosed
WO-2005049018-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-02 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 (4 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-20090018140-A1 THIAZOLES AND OXAZOLES USEFUL AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KLKB1 3090/4885RAB9A 3491/4885NPC1 64/4885
US-20050130970-A1 Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 KLKB1 3090/4885RAB9A 3491/4885NPC1 64/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT KLKB1 4526/4885RAB9A 4147/4885NPC1 1473/4885
US-20110144123-A1 Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KLKB1 3090/4885RAB9A 3491/4885NPC1 64/4885

“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.