SCHEMBL3278932

SCHEMBL3278932

Nc1nc(-c2ccc(CCNC(=O)Oc3ccccc3)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
LTA4H P09960 4/20 0.52
TAAR1 Q96RJ0 2/20 0.51
GAA P10253 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
HRH2 P25021 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4582523 0.83 ALDH1A1 (0.56) NPC1RAB9AMAPTLTA4HGAA
SCHEMBL8148068 0.81 LTA4H (0.58) NPC1RAB9AMAPTLTA4HGAA
SCHEMBL8320737 0.80 RAB9A (0.59) NPC1RAB9AMAPTPKMGAA
SCHEMBL4876699 0.79 LTA4H (0.52) NPC1RAB9AMAPTLTA4HGAA
Hydrochloric Acid SCHEMBL4870688 0.78 AOC3 (0.52) NPC1RAB9AMAPTLTA4HGAA
SCHEMBL8152325 0.76 LTA4H (0.52) NPC1RAB9AMAPTLTA4HGAA
Bromide SCHEMBL8146099 0.75 LTA4H (0.51) NPC1RAB9AMAPTLTA4HGAA
SCHEMBL9267271 0.75 TAAR1 (0.76) NPC1RAB9ALTA4HTAAR1GAA
SCHEMBL27511900 0.74 MEN1 (0.56) NPC1RAB9AMAPTPKMLTA4H
SCHEMBL13131237 0.73 LTA4H (0.77) NPC1RAB9AMAPTLTA4HALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696374-B2 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-13 US claimed
US-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 US claimed
US-7696374-B2 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-13 US disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
US-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 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-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics GBA1, NAT1, AADAC NPC1 45/4885RAB9A 1781/4885MAPT 3394/4885

“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.