SCHEMBL7065238

SCHEMBL7065238

CCONc1ccc(N)c(NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
HDAC1 Q13547 11/20 0.49
HDAC3 O15379 5/20 0.49
HDAC2 Q92769 5/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
RORC P51449 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL11227767 0.75 HDAC1 (0.50) TDP1HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL1708819 0.72 HDAC1 (0.62) TDP1HDAC1HDAC3HDAC2MEN1
SCHEMBL8110762 0.72 HDAC2 (0.83) HDAC1HDAC3HDAC2MAPTKDM4E
SCHEMBL11642610 0.72 MTNR1A (0.58) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL24405269 0.71 HDAC1 (0.57) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL10372226 0.71 HDAC1 (0.60) HDAC1HDAC3HDAC2MAPTALDH1A1
SCHEMBL11512570 0.71 HDAC1 (0.60) HDAC1HDAC3HDAC2MEN1KMT2A
SCHEMBL11207191 0.71 HDAC1 (0.60) TDP1HDAC1HDAC3HDAC2KMT2A
SCHEMBL30832967 0.71 HDAC1 (0.60) TDP1HDAC1HDAC3HDAC2KMT2A
SCHEMBL22476617 0.70 HTT (0.49) TDP1HDAC1HDAC3HDAC2KMT2A

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-6579326-B2 For dyeing hair L'OREAL S.A. (FR) 2003-06-17 US disclosed
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS L'OREAL S.A. (FR) 2003-02-13 US disclosed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 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-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process KRT18, INMT, KMO TDP1 2965/4885HDAC1 571/4885HDAC3 687/4885
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS KRT18, INMT, KMO TDP1 3046/4885HDAC1 466/4885HDAC3 609/4885

“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.