SCHEMBL5017614

SCHEMBL5017614

NOCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.62
MITF O75030 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SLC1A3 P43003 1/20 0.58
SLC1A2 P43004 1/20 0.58
SLC1A1 P43005 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54

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
SCHEMBL4268296 0.89 MAPT (0.59) HTTALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL5545852 0.85 CYP2C19 (0.60) NPC1SMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL18204569 0.81 STAT3 (0.55) HTTALDH1A1MITFRAB9AMEN1
SCHEMBL13312439 0.79 ALDH1A1 (0.62) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL14075087 0.79 NPC1 (0.57) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL28251305 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL7568726 0.78 ALDH1A1 (0.70) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL70039 0.78 ALDH1A1 (0.70) HTTALDH1A1NPC1MITFRAB9A
SCHEMBL5545792 0.77 ALDH1A1 (0.63) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5017617 0.77 MEN1 (0.66) HTTALDH1A1NPC1RAB9ASMN1; SMN2

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 HTT 4690/4885ALDH1A1 988/4885NPC1 299/4885

“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.