SCHEMBL5162901

SCHEMBL5162901

Nc1ccc(CC(=O)N(CCCO)CCCO)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MC3R P41968 5/20 0.33
MC4R P32245 4/20 0.33
MC5R P33032 4/20 0.33
NTRK2 Q16620 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
REN P00797 1/20 0.33
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL5164492 0.91 POLB (0.36) HDAC1HDAC6MEN1USP2POLB
SCHEMBL5161610 0.87 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19POLB
SCHEMBL5164427 0.83 POLB (0.46) POLBMAPTAPEX1TDP1TSHR
SCHEMBL5161931 0.80 HSD17B10 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
Ammonia Solution, Strong SCHEMBL5306552 0.78 HSD17B10 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL5159578 0.78 HDAC1 (0.34) HDAC1HDAC6MC3RMC4RMC5R
SCHEMBL5159628 0.76 CASP1 (0.36) CYP1A2CYP3A4MEN1USP2POLB
SCHEMBL5162503 0.73 PTGS2 (0.36) HDAC1HDAC6HPGD
SCHEMBL5430063 0.72 POLB (0.46) HDAC1HDAC6MC3RMC4RMC5R
Carbamic Acid SCHEMBL27891237 0.71 CA2 (0.40) CYP3A4CYP2C19MEN1USP2POLB

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 HDAC1 1824/4885HDAC6 1411/4885MC3R 3726/4885

“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.