SCHEMBL2370001

SCHEMBL2370001

NC(=O)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.62
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP2 Q9UGN5 1/20 0.46
MAP4K4 O95819 1/20 0.43
INSR P06213 1/20 0.43
CSF1R P07333 1/20 0.43
PIM1 P11309 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
ITK Q08881 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
AURKB Q96GD4 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
SCHEMBL19064517 0.87 KDM4E (0.61) PARP1KDM4EHPGDHTTHSD17B10
SCHEMBL2370560 0.83 PARP1 (0.62) PARP1KDM4EHPGDPARP2DHODH
SCHEMBL23512330 0.82 KDM4E (0.51) PARP1KDM4EHPGDHTTHSD17B10
SCHEMBL30899214 0.77 PTGES (0.52) PARP1KDM4EHPGDDHODHDRD2
SCHEMBL21645366 0.77 PTGES (0.52) PARP1KDM4EHPGDDHODHDRD2
SCHEMBL8183601 0.77 HTT (0.56) PARP1KDM4EHPGDHTTHSD17B10
SCHEMBL2369095 0.77 PARP1 (1.00) PARP1KDM4EHPGD
SCHEMBL19064507 0.76 P2RX1 (0.55)
SCHEMBL29577337 0.76 P2RX1 (0.55)
SCHEMBL21645368 0.76 KDM4E (0.40) PARP1KDM4EHPGDHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542533-B1 FLUORALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THEIR USE FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER IP GMBH (DE) 2014-09-10 EP disclosed
EP-2542533-B1 FLUORALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THEIR USE FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER IP GMBH (DE) 2014-09-10 EP disclosed
EP-2561759-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles and their effect on plant growth Bayer Cropscience AG (DE) 2013-02-27 EP disclosed
EP-2561759-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles and their effect on plant growth Bayer Cropscience AG (DE) 2013-02-27 EP disclosed
EP-2542533-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS Bayer Intellectual Property GmbH (DE) 2013-01-09 EP disclosed
WO-2011107504-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed
WO-2011107504-A1 FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed
US-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
US-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
US-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BAYER CROPSCIENCE AG (DE) 2011-09-08 US 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-20110218103-A1 Fluoroalkyl-substituted 2-amidobenzimidazoles BOLA2; BOLA2B, ARFIP2, PFAS PARP1 3533/4885KDM4E 2009/4885HPGD 3714/4885

“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.