SCHEMBL22314064

SCHEMBL22314064

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
F2R P25116 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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
SCHEMBL22313599 0.88 APP (0.37)
SCHEMBL22314200 0.88 BCHE (0.30)
SCHEMBL22313582 0.87 ALDH1A1 (0.37) KDM4EMAPTALDH1A1LMNA
SCHEMBL22313653 0.86
SCHEMBL22313584 0.82 DNM1 (0.32) KDM4ENPC1MAPTALDH1A1LMNA
SCHEMBL22313923 0.82
SCHEMBL22314027 0.81 ADRB2 (0.33)
SCHEMBL22313922 0.81 MAPT (0.36) MAPTALDH1A1
SCHEMBL22314062 0.81 MAPT (0.37) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL22314182 0.80 ALDH1A1 (0.39) KDM4ENPC1MAPTALDH1A1LMNA

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 KDM4E 4770/4885NPC1 1881/4885RAB9A 3069/4885

“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.