SCHEMBL22313660

SCHEMBL22313660

CN(C)c1ccc2nc(/C=C(\C#N)C(=O)OCCOCCOCCCCCCCl)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
APP P05067 3/20 0.36
DNM1 Q05193 3/20 0.36
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
MIF P14174 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
PPARG P37231 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSMD14 O00487 1/20 0.32

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
SCHEMBL22313944 0.99 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHPGDAPP
SCHEMBL22313630 0.88 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHPGDDNM1
SCHEMBL22313665 0.81 APP (0.52) ALDH1A1MAPTLMNAHPGDAPP
SCHEMBL22314200 0.80 BCHE (0.30)
SCHEMBL22314026 0.79 SLC16A3 (0.34)
SCHEMBL22313937 0.78 APP (0.39) ALDH1A1MAPTLMNAHPGDAPP
SCHEMBL22313629 0.76 SLC16A3 (0.43) ALDH1A1MAPTAPPMEN1KMT2A
SCHEMBL22314214 0.73 APP (0.53) ALDH1A1MAPTLMNAHPGDAPP
SCHEMBL22314182 0.71 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHPGDDNM1
SCHEMBL12633781 0.69 SLC16A3 (0.51) ALDH1A1MAPTAPPMIFRXFP1

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 1 patent. 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

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 ALDH1A1 3475/4885MAPT 3407/4885LMNA 1071/4885

“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.