SCHEMBL3076273

SCHEMBL3076273

Cc1c(N)ccc(N)c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PIK3CA P42336 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HSD17B3 P37058 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
IDH1 O75874 1/20 0.39
TLR8 Q9NR97 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL10394797 0.88 IDH1 (0.44) CALM1CYP3A4TSHRPIK3CAALDH1A1
SCHEMBL3165405 0.88 CALM1 (0.41) CALM1CYP3A4TSHRALDH1A1NPSR1
Hydrochloric Acid SCHEMBL3291591 0.86 CALM1 (0.39) CALM1CYP3A4ALDH1A1NPSR1MAPT
Bromide SCHEMBL8174311 0.86 CALM1 (0.39) CALM1CYP3A4TSHRALDH1A1NPSR1
SCHEMBL1498780 0.84 CALM1 (0.55) CALM1ALDH1A1MAPTGAAPOLB
SCHEMBL10533565 0.83 TP53 (0.39) CALM1ALDH1A1NPSR1MAPTHPGD
SCHEMBL2990081 0.83 CYP3A4 (0.52) CYP3A4TSHRPIK3CAALDH1A1USP2
SCHEMBL5426526 0.82 IDH1 (0.45) CALM1CYP3A4TSHRALDH1A1NPSR1
Hydrochloric Acid SCHEMBL2988167 0.82 CYP3A4 (0.50) CYP3A4TSHRPIK3CAALDH1A1POLB
SCHEMBL2990519 0.81 MAOB (0.44) CYP3A4TSHRPIK3CAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690043-B Quinoline derivatives and its preparation method and application 东莞东阳光科研发有限公司 2019-10-18 CN disclosed
CN-108690043-A Quinoline derivatives and its preparation method and application 东莞东阳光科研发有限公司 2018-10-23 CN disclosed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
US-7422609-B2 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2008-09-09 US disclosed
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 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-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers KRT18, CDC73, JUP CALM1 2131/4885CYP3A4 1046/4885TSHR 4796/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM CALM1 439/4885CYP3A4 3372/4885TSHR 4852/4885

“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.