SCHEMBL5417586

SCHEMBL5417586

Nc1ccc(N)c(C=CCNc2cc(N)ccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL5174066 1.00 CYP3A4 (0.35) CYP3A4TSHRHSD17B10MAPK1ALDH1A1
SCHEMBL6549315 0.90 ALDH1A1 (0.38) CYP3A4TSHRHSD17B10ALDH1A1ALOX15
SCHEMBL6549321 0.90 ALDH1A1 (0.38) CYP3A4TSHRHSD17B10ALDH1A1ALOX15
SCHEMBL5438026 0.83 NPC1 (0.37) CYP3A4TSHRHSD17B10ALDH1A1ALOX15
SCHEMBL5173935 0.83 NPC1 (0.37) CYP3A4TSHRHSD17B10ALDH1A1ALOX15
SCHEMBL5173899 0.82 CASP1 (0.38) CYP3A4TSHRALDH1A1CASP1RECQL
SCHEMBL5173902 0.82 CASP1 (0.38) CYP3A4TSHRALDH1A1CASP1RECQL
SCHEMBL5173292 0.82 ADRA2B (0.30)
SCHEMBL5437708 0.82 ADRA2B (0.30)
SCHEMBL6550255 0.81 CYP3A4 (0.38) CYP3A4TSHRHSD17B10MAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 US claimed
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 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 (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-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds KRT18, DSP, DSG1 CYP3A4 2470/4885TSHR 4826/4885HSD17B10 2107/4885

“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.