SCHEMBL5415545

SCHEMBL5415545

N#Cc1c(C=Cc2ccc(C(=Cc3ccccc3)N(c3ccccc3)c3ccccc3)cc2)c(C#N)c(C=Cc2ccc(C(=Cc3ccccc3)N(c3ccccc3)c3ccccc3)cc2)c(C#N)c1C=Cc1ccc(C(=Cc2ccccc2)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.40
ALDH1A1 P00352 8/20 0.35
MAPT P10636 5/20 0.35
MAPK1 P28482 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
RELA Q04206 1/20 0.34
ALOX12 P18054 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.33
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2299170 0.80 TRPM8 (0.48) TRPM8ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL5420760 0.79 P4HB (0.37) HPGDGAAHDAC1LMNA
SCHEMBL5411600 0.77 TRPM8 (0.41) TRPM8ALDH1A1MAPTMAPK1RAB9A
SCHEMBL22263615 0.76 TRPM8 (0.54) TRPM8ALDH1A1MAPTRAB9AHPGD
SCHEMBL9446229 0.76 TRPM8 (0.48) TRPM8ALDH1A1MAPTMAPK1RAB9A
SCHEMBL6031703 0.76 TRPM8 (0.48) TRPM8ALDH1A1MAPTMAPK1RAB9A
SCHEMBL9446234 0.76 TRPM8 (0.48) TRPM8ALDH1A1MAPTMAPK1RAB9A
SCHEMBL5416084 0.76 NFE2L2 (0.48) ALDH1A1MAPTMAPK1RAB9AL3MBTL1
SCHEMBL5414303 0.76 NFE2L2 (0.48) ALDH1A1MAPTMAPK1RAB9AL3MBTL1
SCHEMBL5415538 0.75 RELA (0.43) ALDH1A1MAPTMAPK1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7311860-B2 1,3,5-tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same KOREA UNIVERSITY FOUNDATION (KR) 2007-12-25 US disclosed
US-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same SFC CO., LTD. (KR) 2004-12-16 US disclosed
WO-2003011817-A1 1, 3, 5-TRICYANO-2, 4, 6-TRIS(VINYL)BENZENE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA UNIVERSITY FOUNDATION (KR) 2003-02-13 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-20040251452-A1 1,3,5-Tricyano-2,4,6-tris(vinyl)benzene derivatives and method for preparing the same TDO2, TRPV6, TRPC6 TRPM8 171/4885ALDH1A1 1357/4885MAPT 899/4885

“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.