SCHEMBL6128387

SCHEMBL6128387

CN(CCC#N)c1ccc(/C=C/C2N(C)c3ccccc3C2(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NMT1 P30419 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
Hydrochloric Acid SCHEMBL28294310 0.99 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL14086709 0.87 KMT2A (0.35) KMT2AMAPTMEN1CYP1A2CYP2D6
SCHEMBL27672858 0.86 KMT2A (0.34) KMT2AMAPTMEN1CYP1A2CYP2D6
SCHEMBL15920365 0.86 KMT2A (0.34) KMT2AMAPTMEN1CYP1A2CYP2D6
SCHEMBL9812776 0.81 RELA (0.45) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL13138317 0.81 RELA (0.45) KMT2AMAPTMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL11791882 0.81 RELA (0.44) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL6128338 0.78 MAPT (0.42) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL10267718 0.75 MAPT (0.36) KMT2AMAPTMEN1ALDH1A1NPC1
SCHEMBL10268981 0.74 RELA (0.42) KMT2AMAPTMEN1ALDH1A1NPC1

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
WO-2014114582-A2 SECURITY ELEMENT HAVING VOLUME HOLOGRAM AND PRINTED FEATURE BAYER MATERIALSCIENCE AG (DE) 2014-07-31 — — WO disclosed
EP-2450893-A1 Photopolymer formula for producing of holographic media with highly networked matrix polymers Bayer MaterialScience AG (DE) 2012-05-09 — — EP disclosed
US-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition L'OREAL S.A. (FR) 2008-08-07 — — 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-20080184495-A1 Dye composition comprising a reactive silicone and a fluorescent dye, and dyeing process using the composition KRT18, VIM, CD44 KMT2A 1319/4885MAPT 1846/4885MEN1 2809/4885

“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.

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