SCHEMBL4953140

SCHEMBL4953140

Nc1ccc2ccn(Nc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4951872 0.80 SLC6A2 (0.49) SLC6A2CYP3A4KMT2AMEN1GFER
SCHEMBL6628128 0.78 SLC6A2 (0.73) SLC6A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4949494 0.76 HTR6 (0.39) ALDH1A1CYP3A4HSD17B10TDP1GAA
SCHEMBL4951981 0.75 PRKCI (0.44) SLC6A2ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL4952905 0.71 PRKCI (0.41) SLC6A2ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL4949656 0.71 PRKCI (0.41) SLC6A2ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL15712770 0.70 SMN1; SMN2 (0.55) ALDH1A1CYP3A4HSD17B10TDP1MAPT
SCHEMBL4952856 0.69 KDM4E (0.35) SLC6A2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL4955602 0.68 SLC6A2 (0.42) SLC6A2ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL4949260 0.68 SLC6A2 (0.42) SLC6A2ALDH1A1CYP3A4HSD17B10TDP1

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 4 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-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 SLC6A2 4797/4885ALDH1A1 510/4885CYP3A4 372/4885

“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.