SCHEMBL5039635

SCHEMBL5039635

Nc1nc2oc(N3CCCC3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKDC P78527 3/20 0.35
NPY5R Q15761 1/20 0.32
ELANE P08246 2/20 0.32
NCF1 P14598 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
FABP6 P51161 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL5040323 0.71 FABP6 (0.39) MEN1KMT2AFABP6
SCHEMBL5046405 0.71 BCHE (0.44) HRH4MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5040130 0.70 NUDT1 (0.35) HRH4POLBKMT2APRKDCSMN1; SMN2
SCHEMBL5041419 0.70 PRKDC (0.33) HRH4POLBPRKDCSMN1; SMN2
SCHEMBL5036329 0.68 PLAU (0.43) MEN1KMT2AFABP6
SCHEMBL5042072 0.68 RAB9A (0.38) HRH4PRKDCSMN1; SMN2NPC1TP53
SCHEMBL5039683 0.67 PDE3B (0.38) HRH4MEN1POLBKMT2ASMN1; SMN2
SCHEMBL4420736 0.65 EHMT2 (0.35) HRH4PRKDCNPY5R
SCHEMBL5036761 0.65 HRH4 (0.36) HRH4MEN1POLBKMT2ASMN1; SMN2
SCHEMBL14487032 0.65 TERT (0.53) MEN1POLBKMT2APRKDCFABP6

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 HRH4 2339/4885MEN1 4806/4885POLB 1157/4885

“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.