SCHEMBL4949548

SCHEMBL4949548

Oc1cccc2c1ccn2NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
IDO1 P14902 2/20 0.41
HTR2C P28335 1/20 0.41
PKM P14618 1/20 0.40
MPO P05164 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PPIA P62937 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DNM1 Q05193 1/20 0.36
SRC P12931 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL4954415 0.81 NSD2 (0.43) HTR6IDO1ALDH1A1MAPTTHRB
SCHEMBL4953108 0.80 HTR2C (0.46) HTR6IDO1HTR2CMEN1KMT2A
SCHEMBL4956173 0.79 HTR2C (0.42) HTR6HTR2CKDM4EMAPTSMN1; SMN2
SCHEMBL4951619 0.77 HTR6 (0.46) HTR6IDO1HTR2CMEN1KMT2A
SCHEMBL4953489 0.76 PKM (0.39) IDO1PKMMPOMEN1KMT2A
SCHEMBL4949672 0.76 SRC (0.41) IDO1PKMMPOMEN1KMT2A
SCHEMBL4951552 0.75 HTR2C (0.47) HTR6IDO1HTR2CMEN1KMT2A
SCHEMBL4954694 0.75 IDO1 (0.40) HTR6IDO1PKMMPOMEN1
SCHEMBL4956619 0.74 IDO1 (0.42) IDO1PKMMPOMEN1KMT2A
SCHEMBL4914582 0.73 IDO1 (0.39) IDO1PKMMPOMEN1KMT2A

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
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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 HTR6 1857/4885IDO1 1767/4885HTR2C 2099/4885

“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.