SCHEMBL2188450

SCHEMBL2188450

CCOC(=O)c1cn(CCl)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.41
FOS P01100 2/20 0.39
JUN P05412 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL2186999 0.87 KDM4E (0.42) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL10560157 0.82 KDM4E (0.42) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL8871467 0.80 BAZ2B (0.47) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL2190591 0.79 BAZ2B (0.46) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL18149761 0.77 DGAT1 (0.41) BAZ2BBAZ2AKDM4EFOSJUN
SCHEMBL18149668 0.76 FOS (0.38) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL3979313 0.75 AR (0.38) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL16564461 0.73 POLB (0.39) BAZ2BBAZ2AKDM4EALDH1A1NPC1
SCHEMBL3977048 0.71 KDM4E (0.48) BAZ2BBAZ2AKDM4ETSHRFOS
SCHEMBL11937691 0.71 HPGD (0.43) KDM4ETSHRALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP 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-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 BAZ2B 4584/4885BAZ2A 4706/4885KDM4E 1179/4885

“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.