SCHEMBL8140505

SCHEMBL8140505

Cc1cc2c(N)nccc2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.41
NOS3 P29474 6/20 0.41
ALDH1A1 P00352 1/20 0.39
NOS1 P29475 4/20 0.38
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
NCF1 P14598 1/20 0.38
BACE1 P56817 1/20 0.38
ROCK1 Q13464 7/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K4 O95819 1/20 0.35
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL31484388 0.80 PDE3B (0.41) ALDH1A1ROCK1
SCHEMBL27688039 0.77 NOS3 (0.38) NOS2NOS3NOS1F12PLAU
SCHEMBL5342853 0.77 ALDH1A1 (0.39) ALDH1A1ROCK1MEN1KMT2A
SCHEMBL441078 0.77 ALDH1A1 (0.39) ALDH1A1ROCK1
SCHEMBL24698674 0.77 NOS3 (0.35) NOS2NOS3NOS1F12PLAU
SCHEMBL18772832 0.76 CYP2A6 (0.33) ROCK1
SCHEMBL29481446 0.74 CYP2A6 (0.49) NOS2NOS3NOS1F12PLAU
SCHEMBL6436332 0.74 CYP2A6 (0.49) NOS2NOS3NOS1F12PLAU
Hydrochloric Acid SCHEMBL6449792 0.73 CYP2A6 (0.47) NOS2NOS3NOS1F12PLAU
SCHEMBL17807503 0.72 PDE3B (0.46) ALDH1A1ROCK1KDM4EKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
EP-2776411-B1 MODULATORS OF C3A RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
WO-2004037176-A2 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 NOS2 3484/4885NOS3 3372/4885ALDH1A1 2339/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NOS2 4317/4885NOS3 3904/4885ALDH1A1 3406/4885

“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.