SCHEMBL5163528

SCHEMBL5163528

Nc1ccc(CC(=O)Nc2cccc(C(F)(F)F)c2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
GAA P10253 1/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
PTGS1 P23219 2/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
HTT P42858 3/20 0.52

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
SCHEMBL5162065 0.86 KCNJ5 (0.56) MAPTMEN1KMT2APTGS1L3MBTL1
SCHEMBL5159839 0.83 KMT2A (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5165386 0.82 NLRP3 (0.53) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL5162624 0.81 NLRP3 (0.57) MAPTMEN1KMT2AGAAXBP1
SCHEMBL5162952 0.81 CYP1A2 (0.54) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5164104 0.81 KCNJ5 (0.63) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5159501 0.81 HPGD (0.54) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5303098 0.81 NLRP3 (0.52) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL5161133 0.81 GAA (0.55) MAPTMEN1KMT2AGAAALDH1A1
Ammonia Solution, Strong SCHEMBL5309981 0.80 CYP1A2 (0.53) MAPTMEN1KMT2ALMNAHDAC3

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 MAPT 1737/4885MEN1 4559/4885KMT2A 2655/4885

“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.