SCHEMBL4949672

SCHEMBL4949672

Oc1cc2ccn(NCc3ccccc3)c2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.41
GPR35 Q9HC97 1/20 0.41
EGFR P00533 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FYN P06241 1/20 0.39
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
IDO1 P14902 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL4953453 0.88 ROCK1 (0.35) SRCGPR35EGFRCA12CA1
SCHEMBL4951832 0.88 ROCK1 (0.35) SRCGPR35CA12CA1CA2
SCHEMBL4951548 0.83 BACE1 (0.40) IDO1THRBKDM4EALDH1A1HPGD
SCHEMBL4949494 0.77 HTR6 (0.39) EGFRFYNIDO1PKMKDM4E
SCHEMBL4953961 0.77 GPR35 (0.36) SRCGPR35KDM4EMEN1ALDH1A1
SCHEMBL4949548 0.76 HTR6 (0.44) SRCIDO1THRBPKMKDM4E
SCHEMBL4954114 0.76 KDM4E (0.34) KDM4EALDH1A1MAPTCASP1
SCHEMBL4953489 0.75 PKM (0.39) CA12CA1CA2CA9IDO1
SCHEMBL4951601 0.73 EGFR (0.43) SRCGPR35EGFRCA12CA1
SCHEMBL4952594 0.73 SRC (0.51) SRCEGFRFYNKDM4EL3MBTL1

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 SRC 2096/4885GPR35 2638/4885EGFR 1834/4885

“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.