SCHEMBL4911040

SCHEMBL4911040

Nc1ccn(NCc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA1 P00915 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4914582 0.82 IDO1 (0.39) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4954415 0.76 NSD2 (0.43) IDO1MAPTCYP3A4THRBCA12
SCHEMBL4953211 0.75 NSD2 (0.36) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4953408 0.73 IDO1 (0.40) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4956619 0.73 IDO1 (0.42) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4910322 0.71 ALDH1A1 (0.38) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4906891 0.71 IDO1 (0.46) IDO1MAPTCYP3A4MEN1KMT2A
SCHEMBL4953453 0.71 ROCK1 (0.35) IDO1MAPTMEN1KMT2ATHRB
SCHEMBL4951832 0.71 ROCK1 (0.35) IDO1MAPTMEN1KMT2ATHRB
SCHEMBL4949494 0.70 HTR6 (0.39) IDO1MAPTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 IDO1 1934/4885MAPT 1579/4885CYP3A4 422/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885MAPT 1579/4885CYP3A4 422/4885

“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.