SCHEMBL22018439

SCHEMBL22018439

CC(C)(C)OC(=O)NC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
APLNR P35414 1/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 4/20 0.37
CA14 Q9ULX7 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA9 Q16790 2/20 0.36
DGAT1 O75907 1/20 0.35
CTSK P43235 2/20 0.35
CYP2D6 P10635 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
SCHEMBL17338702 0.83 APLNR (0.39) TDP1APLNRCA1CA2CA7
SCHEMBL759712 0.81 APLNR (0.56) TDP1APLNRCA1CA2CA7
SCHEMBL5672978 0.80 TDP1 (0.40) TDP1APLNRCA1CA2CA7
SCHEMBL240769 0.80 CA1 (0.42) TDP1APLNRCA1CA2CA7
SCHEMBL17570627 0.80 TDP1 (0.44) TDP1APLNRCA1CA2MAOA
SCHEMBL5989055 0.79 CA1 (0.38) TDP1APLNRCA1CA2CA7
SCHEMBL27737493 0.79 MAOA (0.40) TDP1APLNRCA1CA2CA7
SCHEMBL28431384 0.79 TDP1 (0.38) TDP1APLNRCA1CA2CA7
SCHEMBL13625265 0.78 APLNR (0.44) TDP1APLNRCA1CA2CA7
SCHEMBL20578018 0.78 MEN1 (0.42) TDP1APLNRCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939974-B Preparation method of aza-benzoazulene derivative 中山大学 2023-10-20 CN claimed
CN-112939974-A Preparation method of azabenzoazulene derivative 中山大学 2021-06-11 CN claimed
EP-3991725-B1 NOVEL ENTERO-ANTISEPTIC FOR THE TREATMENT OF GASTROINTENSTINAL INFECTIONS IN HUMANS NINKOV DUSAN (HU) 2026-01-28 EP disclosed
WO-2025056068-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海济煜医药科技有限公司 2025-03-20 WO disclosed
US-20240374551-A1 ENTERO-ANTISEPTIC FOR THE TREATMENT OF GASTROINTESTINAL INFECTIONS IN HUMANS NINKOV DUSAN (US) 2024-11-14 US disclosed
CN-118164994-A Camptothecin derivatives and antibody drug conjugates thereof 石药集团巨石生物制药有限公司 2024-06-11 CN disclosed
CN-112939974-B Preparation method of aza-benzoazulene derivative 中山大学 2023-10-20 CN disclosed
EP-3991725-A1 NOVEL ENTERO-ANTISEPTIC FOR THE TREATMENT OF GASTROINTENSTINAL INFECTIONS IN HUMANS Ninkov, Dusan (HU) 2022-05-04 EP disclosed
CN-112939974-A Preparation method of azabenzoazulene derivative 中山大学 2021-06-11 CN disclosed
US-10660968-B2 Spirocyclic degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2020-05-26 US disclosed
CN-104080783-A Pyrrole compounds YAKULT HONSHA KK 2014-10-01 CN 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-20240374551-A1 ENTERO-ANTISEPTIC FOR THE TREATMENT OF GASTROINTESTINAL INFECTIONS IN HUMANS VIP, SI, CEL TDP1 4273/4885APLNR 2926/4885CA1 3567/4885
US-10660968-B2 Spirocyclic degronimers for target protein degradation STUB1, UBE3C, UBE3A TDP1 3690/4885APLNR 920/4885CA1 3972/4885

“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.