SCHEMBL20569698

SCHEMBL20569698

CCOC(=O)C(C#N)=NOCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
NR1H4 Q96RI1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 5/20 0.42
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL20569697 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL11322558 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL11322563 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL10401106 0.82 NPC1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL9464386 0.82 NPC1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL9517517 0.82 NPC1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL6243846 0.81 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1NR1H4
SCHEMBL10401417 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL10401418 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL2666873 0.78 ALDH1A1 (0.46) ALDH1A1GAAKMT2AMEN1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
EP-3630783-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 US disclosed
WO-2018218154-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2018-11-29 WO 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 (2 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-11267826-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885GAA 345/4885
US-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885KDM4E 2087/4885GAA 345/4885

“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.