SCHEMBL20120111

SCHEMBL20120111

C=C/C(=C\C)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL12786457 1.00 SMN1; SMN2 (0.40) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL18789917 0.83 ALDH5A1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ATP53
SCHEMBL17916791 0.82 SMN1; SMN2 (0.35) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL12831243 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL28795376 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL14568166 0.80 SMN1; SMN2 (0.39) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL18509288 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NAPRTHTTALDH1A1L3MBTL1
SCHEMBL1073773 0.76 AKT1 (0.50) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL1073772 0.76 AKT1 (0.50) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A
SCHEMBL14780997 0.76 AKT1 (0.50) SMN1; SMN2NAPRTALDH1A1MEN1KMT2A

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-20220389306-A1 ZWITTERIONIC COMPOUNDS FOR NON-LINEAR OPTICS, SENSORS, AND SPECTROSCOPY UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2022-12-08 US disclosed
EP-3932911-A1 POLARIZATION SOURCE FOR DYNAMIC NUCLEAR POLARIZATION, COMPOSITION, COMPOSITION FOR DYNAMIC NUCLEAR POLARIZATION, METHOD FOR HYPERPOLARIZATION, HYPERPOLARIZED SUBSTANCE AND NMR MEASUREMENT METHOD Kyushu University, National University Corporation (JP) 2022-01-05 EP disclosed
US-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2020-11-10 US disclosed
EP-2477999-B1 FORMULATIONS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-23 EP disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 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-10833281-B2 Organic electroluminescence composition, material for organic electroluminescence element, solution of material for organic electroluminescence element, and organic electroluminescence element SLCO4C1, SLCO2A1, SLCO1A2 SMN1; SMN2 1581/4885NAPRT 1626/4885HTT 333/4885

“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.