SCHEMBL4953142

SCHEMBL4953142

Nc1cc2ncn(OCc3ccccc3)c2cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.37
MAOB P27338 2/20 0.36
TNF P01375 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CSF1R P07333 1/20 0.36
DHFR P00374 3/20 0.36
CYP3A4 P08684 2/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGER Q15109 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 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
SCHEMBL4954023 0.89 FGFR1 (0.40) FGFR1MAOBTNFCYP11B1CYP11B2
SCHEMBL4953943 0.89 FGFR1 (0.40) FGFR1MAOBTNFCYP11B1CYP11B2
SCHEMBL4953283 0.82 FGFR1 (0.51) FGFR1MAOBTNFCYP11B1CYP11B2
SCHEMBL9672155 0.80 CYP11B1 (0.53) TNFCYP11B1CYP11B2CYP3A4CYP1A2
SCHEMBL4952625 0.76 MEN1 (0.33) FGFR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4952930 0.73 ROCK1 (0.39) MAOBCSF1RDHFRGAAMAPT
SCHEMBL4951692 0.72 DHFR (0.40) MAOBDHFRGAAMAPTMAOA
SCHEMBL28016416 0.71 HDAC6 (0.42) DHFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4951916 0.71 FGFR1 (0.36) FGFR1MAPTSMN1; SMN2HTT
SCHEMBL4952937 0.68 RECQL (0.36) MAOBCSF1RDHFRHTT

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 FGFR1 3538/4885MAOB 536/4885TNF 2957/4885

“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.