SCHEMBL4657643

SCHEMBL4657643

N#CC(C#N)(CCC(F)(F)F)Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPAS1 Q99814 1/20 0.37
DHODH Q02127 1/20 0.36
CETP P11597 1/20 0.36
PANK3 Q9H999 1/20 0.36
SLC6A4 P31645 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL4657232 0.88 ALDH1A1 (0.35) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL4657428 0.84 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2TP53CYP3A4
SCHEMBL6841775 0.84 ALDH1A1 (0.35) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL6821404 0.82 TSHR (0.40) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL6824025 0.82 ACACB (0.38) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL5001946 0.82 CYP2A6 (0.41) MAPTALDH1A1SMN1; SMN2MEN1TP53
SCHEMBL4658926 0.81 ALDH1A1 (0.36) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL4658834 0.80 MAOA (0.33) ALDH1A1KMT2AHSD17B10RAB9ACASR
SCHEMBL6841637 0.80 ALDH1A1 (0.36) MAPTALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL6839309 0.80 ALDH1A1 (0.39) MAPTALDH1A1TSHRTDP1SMN1; SMN2

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-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 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 (2 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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 MAPT 4314/4885ALDH1A1 1502/4885TSHR 2542/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 MAPT 4612/4885ALDH1A1 614/4885TSHR 3805/4885

“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.