SCHEMBL2370056

SCHEMBL2370056

Cc1cc(N)c(N)c(C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
GRK6 P43250 1/20 0.40
NNMT P40261 1/20 0.38
BRD4 O60885 1/20 0.38
PARP1 P09874 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IKBKB O14920 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL2060597 0.83 KDM4E (0.70) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL12316452 0.81 KDM4E (0.54) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL2379171 0.79 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL505337 0.78 KDM4E (0.50) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL14604836 0.78 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL27878114 0.76 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL14571324 0.76 ALDH1A1 (0.45) KDM4EALDH1A1LMNAMAPTGRK6
Dimethyl Sulfoxide SCHEMBL27915993 0.75 KDM4E (0.59) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL6027899 0.75 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL2300633 0.74 CYP3A4 (0.53) KDM4EALDH1A1LMNAGAAGRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102884054-B Fluoroalkyl-substituted 2-amidobenzimidazoles and the use thereof for boosting stress tolerance in plants BAYER IP GMBH 2015-01-14 CN 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
CN-102884054-A Fluoroalkyl-substituted 2-amidobenzimidazoles and the use thereof for boosting stress tolerance in plants BAYER IP GMBH 2013-01-16 CN 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
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 KDM4E 2009/4885ALDH1A1 1700/4885LMNA 4435/4885

“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.