SCHEMBL5041516

SCHEMBL5041516

CCOc1nc2[nH]ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
NUDT1 P36639 2/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
AXL P30530 1/20 0.33
POLB P06746 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
NQO1 P15559 1/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 2/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL5039775 0.81 SIRT2 (0.37) TTBK1TTBK2NUDT1MEN1KMT2A
SCHEMBL5036848 0.70
SCHEMBL2675687 0.68 DDAH1 (0.56) MEN1HTTKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28081465 0.67 DDAH1 (0.55) MEN1HTTKMT2AALDH1A1SMN1; SMN2
SCHEMBL12889421 0.67 NUDT1 (0.41) TTBK1TTBK2NUDT1HTTSMN1; SMN2
SCHEMBL5041055 0.66
SCHEMBL5039593 0.66
SCHEMBL5037210 0.66 HCAR2 (0.42) KDM4CMEN1HTTKMT2AALDH1A1
SCHEMBL5041351 0.66 KDM4C (0.38) KDM4CMEN1HTTKMT2AALDH1A1
SCHEMBL4362602 0.64 KDM4C (0.50) KDM4CNUDT1MEN1KMT2AALDH1A1

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 4 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
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4C 249/4885TTBK1 940/4885TTBK2 683/4885

“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.