SCHEMBL22295772

SCHEMBL22295772

CN(C)c1ccc2nc(/C=C(\C#N)C(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.46
SLC16A1 P53985 5/20 0.46
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
USP9X Q93008 1/20 0.42

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
SCHEMBL28823042 1.00 SLC16A3 (0.46) SLC16A3SLC16A1APPMEN1ALDH1A1
SCHEMBL15128924 0.79 SLC16A3 (0.52) SLC16A3SLC16A1MEN1ALDH1A1MAPT
SCHEMBL15128925 0.79 SLC16A3 (0.52) SLC16A3SLC16A1MEN1ALDH1A1MAPT
SCHEMBL15129001 0.77 SLC16A3 (0.51) SLC16A3SLC16A1MEN1ALDH1A1MAPT
SCHEMBL15129002 0.77 SLC16A3 (0.51) SLC16A3SLC16A1MEN1ALDH1A1MAPT
SCHEMBL22313629 0.77 SLC16A3 (0.43) SLC16A3SLC16A1APPMEN1ALDH1A1
SCHEMBL22314181 0.77 APP (0.72) SLC16A3SLC16A1APPMEN1ALDH1A1
SCHEMBL17903511 0.75 APP (0.42) SLC16A3SLC16A1APPMEN1ALDH1A1
SCHEMBL21160708 0.73 APP (0.45) SLC16A3SLC16A1APPMEN1ALDH1A1
SCHEMBL16544440 0.73 MEN1 (0.71) SLC16A3SLC16A1MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 US disclosed
EP-3690002-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF East China University of Science and Technology (CN) 2020-08-05 EP 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-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN SLC16A3 1198/4885SLC16A1 644/4885APP 2264/4885

“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.