SCHEMBL11966166

SCHEMBL11966166

[C-]#[N+]c1ccc(/C=C/C(=O)/C=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HDAC2 Q92769 2/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
P4HB P07237 4/20 0.51
HTT P42858 1/20 0.48
SNCA P37840 1/20 0.47
HSD11B1 P28845 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
F3 P13726 2/20 0.46
TYR P14679 1/20 0.46
CYP1A2 P05177 2/20 0.44
GPR183 P32249 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PLIN1 O60240 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7329521 0.88 MAPT (0.64) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL8497722 0.88 MAPT (0.64) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL1630803 0.84 FBP1 (0.47) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL1629892 0.84 FBP1 (0.47) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL11971147 0.81 ALDH1A1 (0.71) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL11971150 0.81 ALDH1A1 (0.71) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL11999790 0.80 CYP1A2 (0.70) MAPTALDH1A1HDAC2LMNAHSD11B1
SCHEMBL324969 0.78 CA2 (0.46) ALDH1A1MAOBMAOACA12CA1
SCHEMBL10226392 0.76 HSD17B3 (0.75) MAPTALDH1A1HDAC2LMNAL3MBTL1
SCHEMBL11144811 0.76 HSD17B3 (0.75) MAPTALDH1A1HDAC2LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-8243113-B2 Ordinary-temperature-phosphorescent organic material, reversibly thermosensitive recording material, reversibly thermosensitive recording medium, and method of recording in reversibly thermosensitive recording medium NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2012-08-14 US disclosed
US-20100328412-A1 ORDINARY-TEMPERATURE-PHOSPHORESCENT ORGANIC MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MATERIAL, REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM, AND METHOD OF RECORDING IN REVERSIBLY THERMOSENSITIVE RECORDING MEDIUM NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2010-12-30 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB MAPT 4863/4885ALDH1A1 1763/4885HDAC2 276/4885

“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.