SCHEMBL3977646

SCHEMBL3977646

N#CC(C#N)(CCC(F)(F)F)Cn1ccc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 10/20 0.37
ALDH1A1 P00352 8/20 0.37
HPGD P15428 8/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 4/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.32

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
SCHEMBL3977687 0.78 AR (0.39) ARKMT2ANPC1LMNARAB9A
SCHEMBL4262922 0.78 SLC6A2 (0.31)
SCHEMBL3979260 0.76 AR (0.36) AR
SCHEMBL3978354 0.76 AR (0.32) AR
SCHEMBL3979724 0.75
SCHEMBL3981480 0.75
SCHEMBL17873573 0.70 KMT2A (0.48) ARKMT2AKDM4EALDH1A1HPGD
SCHEMBL3980897 0.70 AR (0.34) AR
SCHEMBL7713800 0.67 KMT2A (0.48) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL4251556 0.67 AR (0.39) AR

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-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

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 AR 4445/4885KMT2A 2412/4885KDM4E 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.