SCHEMBL22313630

SCHEMBL22313630

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.39
KDM4E B2RXH2 5/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 7/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MITF O75030 3/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
MDM2 Q00987 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RECQL P46063 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 3/20 0.36
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL22313660 0.88 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL22313944 0.87 ALDH1A1 (0.37) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL22314182 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EPKMLMNAKMT2A
SCHEMBL22314026 0.83 SLC16A3 (0.34)
SCHEMBL22313662 0.82 APP (0.50) ALDH1A1KDM4EPKMLMNAKMT2A
SCHEMBL22295765 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL22314200 0.81 BCHE (0.30)
SCHEMBL22313622 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EPKMLMNAKMT2A
SCHEMBL22313664 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EPKMLMNAKMT2A
SCHEMBL22313629 0.74 SLC16A3 (0.43) ALDH1A1KMT2AMEN1MAPTEGFR

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 3475/4885KDM4E 4770/4885PKM 2087/4885

“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.