SCHEMBL3279938

SCHEMBL3279938

COc1ccc(CCNC(=O)Oc2ccccc2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
NPC1 O15118 1/20 0.65
GAA P10253 1/20 0.65
RAB9A P51151 1/20 0.65
TAAR1 Q96RJ0 1/20 0.65
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
ADRB3 P13945 1/20 0.64
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
PLAAT3 P53816 1/20 0.61
PLAAT5 Q96KN8 1/20 0.61
PLAAT2 Q9NWW9 1/20 0.61
PLAAT4 Q9UL19 1/20 0.61
MEN1 O00255 2/20 0.61

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
SCHEMBL7265002 0.84 CA12 (0.73) ALDH1A1GAAKMT2AMAPTCA12
SCHEMBL3281488 0.83 MAPT (0.69) ALDH1A1RAB9AKMT2AMAPTHTT
SCHEMBL4027064 0.82 SMN1; SMN2 (0.87) ALDH1A1KMT2AMAPTHTTMEN1
SCHEMBL901614 0.82 CA12 (0.73) ALDH1A1GAAKMT2AMAPTCA12
SCHEMBL29356619 0.81 ALDH1A1 (0.77) ALDH1A1NPC1GAARAB9AKMT2A
SCHEMBL6270935 0.81 ALDH1A1 (0.77) ALDH1A1NPC1GAARAB9AKMT2A
SCHEMBL7115429 0.80 GAA (0.70) ALDH1A1NPC1GAARAB9AKMT2A
SCHEMBL6280197 0.80 CA12 (0.56) ALDH1A1KMT2AMAPTHTTCA12
SCHEMBL6380843 0.80 ALDH1A1 (0.70) ALDH1A1TAAR1KMT2AMAPTHTT
SCHEMBL25987693 0.80 SLC7A5 (0.68) ALDH1A1NPC1GAARAB9ATAAR1

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 5 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

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 ALDH1A1 32/4885NPC1 45/4885GAA 97/4885

“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.