SCHEMBL6535756

SCHEMBL6535756

CC(Oc1ccc(N)cc1)c1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 10/20 0.38
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TEAD4 Q15561 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MITF O75030 1/20 0.34
GFER P55789 1/20 0.34
NLRP1 Q9C000 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NR4A1 P22736 2/20 0.33
CASP1 P29466 1/20 0.33
NPC1 O15118 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL6535654 0.91 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6535648 0.89 POLB (0.43) TDP1TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6535758 0.86 ALDH1A1 (0.37) TDP1TSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6535506 0.86 GAA (0.33) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL3969449 0.82 ALOX5 (0.41) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL6535896 0.79 KDM4E (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3654298 0.79 CASP1 (0.37) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL6535617 0.78 CHRNB2 (0.39) TDP1ALDH1A1MEN1POLB
SCHEMBL22283000 0.76 GAA (0.37) TDP1TSHRMAPK1ALDH1A1CYP3A4
SCHEMBL11510925 0.75 POLB (0.43) TDP1TSHRMAPK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359887-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-08-18 EP disclosed
US-6673932-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359887-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20030131422-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2003-07-17 US disclosed
WO-2002058658-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, 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 (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-20030131422-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, COX5A TDP1 1998/4885TSHR 3593/4885MAPK1 403/4885

“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.