SCHEMBL5036384

SCHEMBL5036384

Nc1cc2oc(N3CCCC3)cc2s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
S100B P04271 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 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
SCHEMBL4419315 0.80 RAB9A (0.34) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL5036373 0.71 POLB (0.35) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL5042072 0.70 RAB9A (0.38) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL5036377 0.69 BACE1 (0.31)
SCHEMBL4420803 0.67 PRKDC (0.41) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL5044363 0.67 ALDH1A1 (0.35) ALDH1A1LMNAMAPTALOX15SMN1; SMN2
SCHEMBL5036338 0.67 FAAH (0.36)
SCHEMBL4429324 0.67 PRKDC (0.34) ALDH1A1MAPTSMN1; SMN2NPC1TP53
SCHEMBL5046196 0.66 CA2 (0.33) MAPTHPGDHTT
SCHEMBL4423430 0.66 PRKDC (0.39) ALDH1A1MAPTSMN1; SMN2NPC1HPGD

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
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US 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 ALDH1A1 492/4885LMNA 351/4885MAPT 439/4885

“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.