SCHEMBL5161573

SCHEMBL5161573

Nc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GAA P10253 2/20 0.50
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL5164404 0.83 RAB9A (0.49) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL5159609 0.81 MAPT (0.53) GAATP53KMT2AMEN1HPGD
SCHEMBL5162988 0.81 POLB (0.50) POLBGAATP53KMT2AMEN1
SCHEMBL5163509 0.80 KMT2A (0.52) KMT2AMEN1HPGDALDH1A1L3MBTL1
SCHEMBL5163562 0.80 HPGD (0.56) HPGDALDH1A1KDM4ELMNARAB9A
SCHEMBL5162173 0.80 KMT2A (0.51) GAAKMT2AMEN1HPGDALDH1A1
SCHEMBL5164374 0.77 GAA (0.51) POLBGAAKMT2AMEN1HPGD
SCHEMBL5163481 0.77 TSHR (0.56) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL5161574 0.77 KCNQ2 (0.54) POLBGAAHPGDALDH1A1HDAC3
SCHEMBL5162952 0.76 CYP1A2 (0.54) KMT2AMEN1L3MBTL1KCNJ5KCNJ3

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 POLB 1150/4885GAA 2771/4885TP53 314/4885

“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.