SCHEMBL4954396

SCHEMBL4954396

Nc1cccc2c1ccn2O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 5/20 0.44
TSHR P16473 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KEAP1 Q14145 1/20 0.38
PARP1 P09874 1/20 0.36
NR4A2 P43354 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
IDO1 P14902 2/20 0.34
TDP2 O95551 2/20 0.34
POLB P06746 2/20 0.34
CASP6 P55212 2/20 0.34
SAE1 Q9UBE0 2/20 0.34
UBA2 Q9UBT2 2/20 0.34
TTR P02766 1/20 0.34

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
SCHEMBL13495660 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL4953069 0.76 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL4956866 0.76 HTR2C (0.47) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL736739 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL28194236 0.74 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL30288280 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL28083489 0.74 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL26596970 0.74 CYP3A4 (0.39) ALDH1A1CYP3A4TSHRHPGDHSD17B10
Hydrochloric Acid SCHEMBL5929747 0.72 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHPGDHSD17B10
SCHEMBL3752264 0.72 F10 (0.33) F2PLAUPRSS1

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-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C ALDH1A1 510/4885CYP3A4 372/4885TSHR 4818/4885

“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.