SCHEMBL2370964

SCHEMBL2370964

CC(C)C(=O)n1c(C(F)(F)F)nc2c(C(N)=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.43
▸ TIPARP Q7Z3E1 4/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP12 Q9H0J9 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CD38 P28907 1/20 0.38

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
SCHEMBL12831971 0.67 PARP1 (0.44) PARP1PARP2
SCHEMBL10149692 0.65 PARP1 (0.61) PARP1PARP2CYP1A2CYP2C9CYP2C19
SCHEMBL27489866 0.63 PARP1 (0.53) PARP1CYP3A4CD38
SCHEMBL1290332 0.63 PARP1 (0.47) PARP1
SCHEMBL8598178 0.63 CYP2C9 (0.47) PIK3C2BLMNACYP1A2CYP2C9CYP2C19
SCHEMBL8562791 0.62 PIK3C2B (0.41) PIK3C2BLMNACYP1A2CYP2C9CYP2C19
SCHEMBL28108391 0.62 PARP1 (0.59) PARP1PARP2
SCHEMBL5619928 0.62 PARP1 (0.52) PARP1PARP2
SCHEMBL27722750 0.61 PARP1 (0.49) PARP1
SCHEMBL27249587 0.61 PARP1 (0.47) PARP1

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 3533/4885TIPARP 4152/4885TNKS 3355/4885

“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.

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