SCHEMBL6477442

SCHEMBL6477442

CC(NCc1ccccc1)c1cc(N)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SIGMAR1 Q99720 1/20 0.45
CASR P41180 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
GRIN2B Q13224 1/20 0.38
EGFR P00533 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36

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
Hydrochloric Acid SCHEMBL6269419 0.98 POLB (0.53) POLBSIGMAR1CASRSMN1; SMN2ADRB2
SCHEMBL5681763 0.85 POLB (0.68) POLBSIGMAR1CASRSMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL6274840 0.84 MEN1 (0.41) POLBSMN1; SMN2ADRB2ITGB1ITGA5
Hydrochloric Acid SCHEMBL7770226 0.84 POLB (0.43) POLBSIGMAR1SMN1; SMN2ADRB2ITGB1
Hydrochloric Acid SCHEMBL6268364 0.83 PNMT (0.44) POLBEGFRALDH1A1IDO1
SCHEMBL6490146 0.82 CASR (0.53) CASRADRB2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6270344 0.82 CYP1A2 (0.43) POLBMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6273752 0.81 ALDH1A1 (0.40) POLBSMN1; SMN2ITGB1ITGA5GAA
Hydrochloric Acid SCHEMBL6274790 0.79 MITF (0.43) POLBSMN1; SMN2GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL6269507 0.79 TAAR1 (0.36) POLBSMN1; SMN2ADRB2KMT2A

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 POLB 247/4885SIGMAR1 1872/4885CASR 4858/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 POLB 247/4885SIGMAR1 1872/4885CASR 4858/4885

“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.