SCHEMBL6088231

SCHEMBL6088231

Nc1cnn(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 3/20 0.50
CYP1A2 P05177 3/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 4/20 0.43
HTT P42858 5/20 0.42
MEN1 O00255 2/20 0.42
NR2F2 P24468 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPSR1 Q6W5P4 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL11722619 0.73 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30996188 0.73 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6087480 0.72 SLC2A1 (0.35) ALDH1A1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL6087341 0.68 NPC1 (0.34) MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL6712592 0.67 MAPT (1.00) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6087521 0.65 SMN1; SMN2 (0.56) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL3107340 0.65 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL25676434 0.64 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30680981 0.64 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30680980 0.64 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056354-B2 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratinous fibers L'OREAL (FR) 2006-06-06 US claimed
US-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers L'OREAL (FR) 2004-12-23 US claimed
EP-1412348-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-28 EP claimed
WO-2003008405-A1 COMPOUNDS DERIVED FROM DIAMINOPYRAZOLE SUBSTITUTED BY A HETEROAROMATIC RADICAL AND THEIR USE IN OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2003-01-30 WO claimed

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-20040255397-A1 Compounds derived from diaminopyrazole substituted by a heteroaromatic radical and their use in oxidation dyeing of keratimous fibers KRT18, AOC1, XRCC5 ALDH1A1 85/4885KMT2A 1777/4885KDM4E 1495/4885

“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.