SCHEMBL4872121

SCHEMBL4872121

Cc1cc(N)ccc1N.Cc1cc(N)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.65
CYP3A4 P08684 8/20 0.62
TDP1 Q9NUW8 6/20 0.62
TSHR P16473 4/20 0.62
CASP1 P29466 3/20 0.62
PDE10A Q9Y233 1/20 0.56
THRB P10828 4/20 0.48
ALOX15 P16050 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
S100B P04271 1/20 0.46
SKP2 Q13309 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 2/20 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
SCHEMBL34217 1.00
SCHEMBL29350390 1.00
SCHEMBL4820857 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Bromide SCHEMBL18979881 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Hydrochloric Acid SCHEMBL9938580 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Hydrochloric Acid SCHEMBL1881380 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Hydrochloric Acid SCHEMBL1154268 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Ammonia Solution, Strong SCHEMBL324762 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Bromide SCHEMBL17106648 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1
Hydrochloric Acid SCHEMBL29388861 0.97 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1TSHRCASP1

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-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 ALDH1A1 175/4885CYP3A4 532/4885TDP1 3664/4885

“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.