SCHEMBL5036854

SCHEMBL5036854

Nc1nc2[nH]c(NCCO)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP2K7 O14733 1/20 0.35
PLAU P00749 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
BACE1 P56817 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
CHUK O15111 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL5036918 0.79 MAPT (0.45) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL5040623 0.74 GPR84 (0.39) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL5036968 0.73 FABP6 (0.41) MAPTMEN1KMT2AALDH1A1PLAU
SCHEMBL5041110 0.71 CYP2D6 (0.40) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL5039501 0.71 CYP2D6 (0.40) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL4429246 0.70 EHMT2 (0.39) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL5039453 0.70 ALDH1A1 (0.47) CYP2D6CYP2C19POLBPKMMAPK1
SCHEMBL5042205 0.70 CYP2D6 (0.36) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL5036749 0.70 CYP2D6 (0.36) MAPTCYP2D6CYP2C19POLBPKM
SCHEMBL5036534 0.69 PLAU (0.33) MEN1KMT2AALDH1A1PLAUHTR3E

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B MAPT 439/4885CYP2D6 1077/4885CYP2C19 1794/4885

“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.