SCHEMBL6095592

SCHEMBL6095592

Cc1cc(N)ccc1NC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
RAD52 P43351 1/20 0.56
SIGMAR1 Q99720 3/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 2/20 0.46
DDX3X O00571 1/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14402886 0.88 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL1358811 0.86 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL30168176 0.86 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL24510782 0.86 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL11289487 0.84 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL11654725 0.83 MAPT (0.59) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL15693306 0.83 MAPT (0.84) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL1548172 0.83 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3880896 0.82 MAPT (0.82) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL9551205 0.82 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19RAD52

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-7070626-B2 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-04 US disclosed
US-6887281-B2 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
US-6849097-B2 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
US-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-01-27 US disclosed
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-10-16 US disclosed
US-20030070240-A1 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 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 (3 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-20030070240-A1 N-heteroarylmethyl-p-phnylendiamine derivatives and compounds containing oxidationcoloring agents PNMT, PAH, CYP2E1 MAPT 2997/4885CYP1A2 35/4885CYP2C9 12/4885
US-20030192132-A1 (P-amino-hydroxyphenyl)-acrylamide derivatives and dyes containing said compounds KRT18, ALDH7A1, IK MAPT 666/4885CYP1A2 471/4885CYP2C9 697/4885
US-20050015898-A1 N-heteroarylmethyl-p-phenylenediamine derivatives as well as oxidation dyeing agents containing these compounds TYR, PNMT, DDT MAPT 3455/4885CYP1A2 149/4885CYP2C9 100/4885

“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.