SCHEMBL5042072

SCHEMBL5042072

Nc1nc2oc(N3CCCC3)cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 3/20 0.38
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
VDR P11473 1/20 0.36
GFER P55789 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DRD2 P14416 3/20 0.36
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
PIK3CA P42336 1/20 0.34
PRKDC P78527 2/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL5041889 0.71 ALDH1A1 (0.39) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5039412 0.71 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5036384 0.70 ALDH1A1 (0.32) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5040130 0.70 NUDT1 (0.35) MAPTSMN1; SMN2ALOX15MAPK1PIK3CA
SCHEMBL5040173 0.68 GAA (0.43) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5039679 0.68 ALDH1A1 (0.38) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5039635 0.68 HRH4 (0.36) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4419315 0.65 RAB9A (0.34) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5041424 0.65 ALDH1A1 (0.36) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL5039738 0.65 RAB9A (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53

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 RAB9A 3830/4885MAPT 439/4885NPC1 4651/4885

“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.