SCHEMBL22313622

SCHEMBL22313622

CN(C)c1ccc2cc(/C=C(\C#N)C(=O)NCCOCCOCCCCCCCl)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
LMNA P02545 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MITF O75030 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MDM2 Q00987 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 4/20 0.35

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
SCHEMBL22313631 0.92 ALDH1A1 (0.41) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22313626 0.91 ALDH1A1 (0.35) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22314051 0.90 DNM1 (0.43) ALDH1A1LMNAKMT2AMEN1MAPK1
SCHEMBL22295739 0.87 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22313937 0.87 APP (0.39) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL22295745 0.85 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22313662 0.85 APP (0.50) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22314048 0.84 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22313635 0.82 MAPT (0.42) ALDH1A1LMNAKMT2AMEN1MITF
SCHEMBL22295765 0.82 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMEN1MITF

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 3475/4885LMNA 1071/4885KMT2A 4790/4885

“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.