SCHEMBL632873

SCHEMBL632873

Nc1ccc(-n2ccccc2=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KLKB1 P03952 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL30104800 1.00 F10 (0.43) F10SMN1; SMN2ALDH1A1KLKB1SLC6A2
Hydrochloric Acid SCHEMBL4999286 0.98 F10 (0.42) F10SMN1; SMN2ALDH1A1KLKB1SLC6A2
SCHEMBL4598530 0.82 SMN1; SMN2 (0.42) F10SMN1; SMN2KLKB1CA12CA1
SCHEMBL8156499 0.79 SMN1; SMN2 (0.40) F10SMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL5097812 0.79 F10 (0.40) F10KLKB1
SCHEMBL92865 0.79 NPC1 (0.54) F10SMN1; SMN2ALDH1A1KLKB1
SCHEMBL8152048 0.79 SMN1; SMN2 (0.40) F10SMN1; SMN2ALDH1A1SLC6A2SLC6A4
SCHEMBL1029269 0.79 THRB (0.44) F10SMN1; SMN2ALDH1A1KLKB1SLC6A2
SCHEMBL1698958 0.79 F10 (0.40) F10KLKB1
SCHEMBL8160084 0.79 F10 (0.40) F10SMN1; SMN2ALDH1A1KLKB1SLC6A2

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 177 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US claimed
CN-101611026-A Preparation method of (3R,4R) -N- (4-chlorphenyl) -1- (2, 2-difluoroethyl) -N' - [ 2-fluoro-4- (2-oxo-1 (2H) -pyridyl) phenyl ] -3, 4-pyrrolidine dicarboxamide HOFFMANN LA ROCHE (CH) 2009-12-23 CN claimed
EP-2097401-A1 PROCESSES FOR THE PREPARATION OF (3R, 4R) -N- (4 -CHLOROPHENYL) -1- (2, 2-DIFLUOROETHYL) -N' - [2-FLUORO-4- (2-OXO-1 (2H) -PYRIDINYL) PHENYL]-3, 4-PYRROLIDINEDICARBOXAMIDE F. Hoffmann-Roche AG (CH) 2009-09-09 EP claimed
EP-2013177-A1 DICARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-01-14 EP claimed
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE HOFFMANN-LA ROCHE, INC. 2008-09-04 US claimed
US-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 US claimed
EP-1671949-B1 Substituted Pyridinylamines WARNER LAMBERT CO (US) 2008-07-23 EP claimed
WO-2008077797-A1 PROCESSES FOR THE PREPARATION OF (3R, 4R) -N- (4 -CHLOROPHENYL) -1- (2, 2-DIFLUOROETHYL) -N' - [2-FLUORO-4- (2-OXO-1 (2H) -PYRIDINYL) PHENYL] -3, 4-PYRROLIDINEDICARBOXAMIDE F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO claimed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US claimed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP claimed
WO-2007122104-A1 DICARBOXAMIDE DERIVATIVES F. HOFFMANN - LA ROCHE AG (CH) 2007-11-01 WO claimed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 US claimed
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC 2006-11-23 US claimed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO claimed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 EP claimed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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 (7 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 F10 13/4885SMN1; SMN2 2662/4885ALDH1A1 4342/4885
US-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 F10 5/4885SMN1; SMN2 3805/4885ALDH1A1 2287/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 F10 13/4885SMN1; SMN2 2172/4885ALDH1A1 2068/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 F10 4109/4885SMN1; SMN2 2901/4885ALDH1A1 2375/4885
US-20060264626-A1 INHIBITORS OF FACTOR Xa AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI F10 10/4885SMN1; SMN2 2983/4885ALDH1A1 2421/4885
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 F10 4/4885SMN1; SMN2 3673/4885ALDH1A1 2514/4885
US-20080214826-A1 PROCESSES FOR THE MANUFACTURE OF A PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVE ALDH18A1, CPS1, DHPS F10 2376/4885SMN1; SMN2 3586/4885ALDH1A1 688/4885

“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.