SCHEMBL4912779

SCHEMBL4912779

Nc1cnc(N)n1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
FABP1 P07148 1/20 0.36
FABP6 P51161 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.35
ASAH1 Q13510 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL4913674 0.77 IDO1 (0.48) IDO1BACE1KDM4ECYP3A4MAPT
SCHEMBL4903557 0.66 IDO1 (0.39) POLBIDO1BACE1CYP3A4MAPT
SCHEMBL4913854 0.66 MAOB (0.41) IDO1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL4904417 0.66 IDO1 (0.39) IDO1BACE1CYP3A4MAPTSMN1; SMN2
SCHEMBL4913710 0.66 APP (0.41) POLBIDO1BACE1CYP3A4MAPT
SCHEMBL4906891 0.64 IDO1 (0.46) IDO1BACE1KDM4ECYP3A4MAPT
SCHEMBL4914460 0.63 ASAH1 (0.43) POLBIDO1CYP3A4MAPTALDH1A1
SCHEMBL4913947 0.63 ALDH1A1 (0.38) POLBIDO1CYP3A4MAPTALDH1A1
SCHEMBL4953976 0.62 KDM4E (0.38) POLBIDO1BACE1KDM4ECYP3A4
SCHEMBL4914042 0.62 ADORA2A (0.40) IDO1BACE1KDM4ECYP3A4MAPT

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 POLB 773/4885IDO1 1934/4885BACE1 3927/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 POLB 773/4885IDO1 1934/4885BACE1 3927/4885

“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.