SCHEMBL5154427

SCHEMBL5154427

Nc1nc(-c2ccccc2)c(N)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.68
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ADORA2A P29274 5/20 0.45
▸ ADORA1 P30542 4/20 0.45
▸ NOTUM Q6P988 2/20 0.45
▸ CSNK1A1 P48729 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ NUDT1 P36639 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL4741741 0.81 IKBKB (0.56) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL330227 0.81 NR4A2 (1.00) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL5154448 0.79 NR4A2 (0.63) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL5154162 0.79 NR4A2 (0.48) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL15716348 0.79 MAPK13 (0.54) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL474237 0.75 NR4A2 (0.58) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL27886259 0.75 ADORA1 (0.49) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL28302861 0.74 RAB9A (0.49) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL25350087 0.72 NR4A2 (0.54) NR4A2ALDH1A1LMNAKDM4EGLA
SCHEMBL28304125 0.72 LMNA (0.47) NR4A2ALDH1A1LMNAKDM4EHPGD

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 — — US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 — — US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 — — US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 — — EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 — — US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 — — WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 NR4A2 4127/4885ALDH1A1 782/4885LMNA 1256/4885

“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.

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