SCHEMBL6490146

SCHEMBL6490146

COc1ccc(CNC(C)c2cc(N)ccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL5685477 0.86 CASR (0.51) CASRL3MBTL1TDP1MEN1KMT2A
SCHEMBL6477442 0.82 POLB (0.54) CASRMEN1KMT2AADRB2ALDH1A1
Hydrochloric Acid SCHEMBL7770226 0.82 POLB (0.43) TDP1MAPK1SLC6A4KMT2AADRB2
Hydrochloric Acid SCHEMBL6269419 0.81 POLB (0.53) CASRMEN1KMT2AADRB2CYP3A4
SCHEMBL6484587 0.80 ALDH1A1 (0.52) L3MBTL1TDP1MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL6273752 0.80 ALDH1A1 (0.40) L3MBTL1TDP1MAPK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6274840 0.79 MEN1 (0.41) MAPK1MEN1KMT2AADRB2CYP3A4
Hydrochloric Acid SCHEMBL6274790 0.77 MITF (0.43) L3MBTL1TDP1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6268528 0.76 MAPT (0.44) L3MBTL1TDP1MAPK1MEN1KMT2A
SCHEMBL5267654 0.75 CASR (0.53) CASRL3MBTL1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 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 (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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASR 4858/4885L3MBTL1 4152/4885TDP1 2250/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 CASR 4858/4885L3MBTL1 4152/4885TDP1 2250/4885

“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.