SCHEMBL17080936

SCHEMBL17080936

CN(C)C(=O)CC/C=C/c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
MAOB P27338 3/20 0.40
KCNH2 Q12809 2/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOA P21397 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL17080935 0.86 RAB9A (0.44) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL17080949 0.83 PAM (0.50) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL17080951 0.82 CYP1A2 (0.50) ALDH1A1CYP1A2GRIK1GRIK2MAOB
SCHEMBL7651686 0.77 CYP1A2 (0.47) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL7651688 0.77 CYP1A2 (0.47) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL17080950 0.75 MEN1 (0.43) NPC1LMNARAB9AMAPTALDH1A1
SCHEMBL5965927 0.74 GRIK1 (0.44) MAPTALDH1A1CYP1A2GRIK1GRIK2
SCHEMBL10505227 0.73 TBXAS1 (0.50) LMNAMAPTALDH1A1CYP1A2GRIK1
SCHEMBL10505231 0.73 TBXAS1 (0.50) LMNAMAPTALDH1A1CYP1A2GRIK1
SCHEMBL29260522 0.72 PTGS2 (0.55) NPC1LMNARAB9AMAPTALDH1A1

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-9896479-B2 Functionalized naphthalene fluorophores Kay M. Brummond (US) 2018-02-20 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES BRUMMOND, KAY M 2016-02-18 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 US disclosed
US-9133234-B2 Functionalized naphthalene fluorophores Brummond, Kay M. (US) 2015-09-15 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-20160046666-A1 FUNCTIONALIZED NAPHTHALENE FLUOROPHORES NCL, SNW1, NEK1 NPC1 139/4885LMNA 217/4885RAB9A 2096/4885

“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.