SCHEMBL5408079

SCHEMBL5408079

CCN(CC)C(=Cc1ccccc1)c1c(C#N)c(C(=Cc2ccccc2)N(CC)CC)c(C#N)c(C(=Cc2ccccc2)N(CC)CC)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 7/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.36
LMNA P02545 3/20 0.36
KDM1A O60341 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
NR1I2 O75469 2/20 0.34
AHR P35869 1/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11206642 0.78 NPC1 (0.49) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL12411252 0.78 NPC1 (0.49) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL5411600 0.78 TRPM8 (0.41) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL51743 0.74 MEN1 (0.42) L3MBTL1NPC1ALDH1A1TSHRKDM1A
SCHEMBL7761109 0.73 NPC1 (0.45) L3MBTL1NPC1ALDH1A1LMNAPOLB
SCHEMBL168235 0.72 NPC1 (0.50) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL12411254 0.72 NPC1 (0.50) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL5709306 0.71 ALDH1A1 (0.47) L3MBTL1NPC1ALDH1A1TSHRAKR1C3
SCHEMBL9804059 0.71 CYP19A1 (0.47) L3MBTL1NPC1ALDH1A1TSHRLMNA
SCHEMBL629143 0.69 ALDH1A1 (0.52) L3MBTL1NPC1ALDH1A1TSHRAKR1C3

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 L3MBTL1 3407/4885NPC1 4767/4885ALDH1A1 1357/4885

“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.