SCHEMBL2237792

SCHEMBL2237792

COC(=O)c1ccc(NN)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
ABL1 P00519 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL19674267 0.84 SMN1; SMN2 (0.47) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL27762519 0.84 SMN1; SMN2 (0.47) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL15154757 0.81 NPC1 (0.58) KDM4EMAPTALDH1A1HSD17B10TDP1
SCHEMBL5327455 0.81 SMN1; SMN2 (0.71) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL28776120 0.81 SMN1; SMN2 (0.45) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL4157373 0.81 MAPT (0.53) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL1839092 0.81 KDM4E (0.54) KDM4EMAPTALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL2176205 0.80 NPC1 (0.56) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL17825653 0.79 MAPT (0.51) KDM4EMAPTALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL1403100 0.79 KDM4E (0.53) KDM4EMAPTALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374791-A1 Insecticidal 4-phenyl-1H pyrazoles Bayer CropScience Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
WO-2010017902-A1 INSECTICIDAL 4-PHENYL-1H-PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-18 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 (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-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 KDM4E 821/4885MAPT 2483/4885ALDH1A1 1129/4885

“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.