SCHEMBL5039683

SCHEMBL5039683

Nc1nc2[nH]c(N3CCCC3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
HRH4 Q9H3N8 2/20 0.38
LMNA P02545 1/20 0.36
NUDT1 P36639 2/20 0.35
MAP2K7 O14733 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
FABP6 P51161 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KIT P10721 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 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
SCHEMBL5036775 0.71 LMNA (0.40) HRH4LMNASMN1; SMN2CRHBPCRHR2
SCHEMBL5041424 0.70 ALDH1A1 (0.36) HRH4LMNANUDT1SMN1; SMN2ALDH1A1
SCHEMBL5044526 0.70 NUDT1 (0.36) HRH4LMNANUDT1MAP2K7SMN1; SMN2
SCHEMBL5046564 0.69 BCHE (0.46) PDE3BPDE3AHRH4NUDT1MAP2K7
SCHEMBL5040817 0.69 PNP (0.53) LMNANUDT1FABP6ALDH1A1MEN1
SCHEMBL14487032 0.67 TERT (0.53) PDE3BPDE3ALMNANUDT1FABP6
SCHEMBL5039635 0.67 HRH4 (0.36) HRH4SMN1; SMN2CRHBPCRHR2FABP6
SCHEMBL5036761 0.67 HRH4 (0.36) HRH4NUDT1MAP2K7SMN1; SMN2CRHBP
SCHEMBL4424687 0.67 EHMT2 (0.41) HRH4LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5036327 0.66 PLAU (0.46) PDE3BPDE3ALMNANUDT1SMN1; SMN2

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 PDE3B 4553/4885PDE3A 4462/4885HRH4 2339/4885

“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.