SCHEMBL17080949

SCHEMBL17080949

CN(C)C(=O)CC/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.50
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL17080936 0.83 NPC1 (0.46) NPC1MAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL23064569 0.82 PAM (0.63) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL17080951 0.82 CYP1A2 (0.50) MAOBALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3108113 0.80 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3108116 0.80 PAM (0.55) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL3020751 0.80 PAM (0.59) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL666894 0.80 PAM (0.64) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1232837 0.80 PAM (0.64) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1231739 0.80 PAM (0.64) PAMHDAC3HDAC4HDAC1HDAC7
SCHEMBL6064354 0.80 PAM (0.59) PAMHDAC3HDAC4HDAC1HDAC7

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 PAM 1994/4885HDAC3 4606/4885HDAC4 4828/4885

“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.