SCHEMBL17080950

SCHEMBL17080950

CN(C)C(=O)CC/C=C/c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 1/20 0.43
GSR P00390 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 3/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL18112878 0.81 GRIK1 (0.50) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18112877 0.81 GRIK1 (0.50) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17080949 0.78 PAM (0.50) KMT2AMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL1788686 0.76 GSR (0.46) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17080936 0.75 NPC1 (0.46) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL11881094 0.74 GRIK1 (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL11881108 0.74 GRIK1 (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17080951 0.74 CYP1A2 (0.50) MEN1KMT2AALDH1A1GRIK1GRIK2
SCHEMBL17080953 0.73 GRIK1 (0.39) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL20604271 0.73 TLR8 (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 6 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-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 MEN1 1725/4885KMT2A 3903/4885MAPT 2209/4885

“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.