SCHEMBL5213536

SCHEMBL5213536

CSCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL29774471 0.89 TDP1 (0.49) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL15341660 0.89 TDP1 (0.61) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL1082707 0.86 TDP1 (0.56) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL22672290 0.85 TDP1 (0.67) TDP1MEN1KMT2AGAAHTT
SCHEMBL1894118 0.84 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL15326216 0.83 ALDH1A1 (0.47) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL3341020 0.83 TDP1 (0.67) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL21600761 0.82 TDP1 (0.53) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL30112571 0.81 TDP1 (0.51) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL5209522 0.81 TDP1 (0.51) TDP1ALDH1A1MEN1KMT2AGAA

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750887-B1 BIARYL DERIVATIVES AND THEIR PHARMACEUTICAL APPLICATION FOR THE TREATMENT OF PD-1/PD-L1 SIGNAL PATHWAY-MEDIATED DISEASES ABBISKO THERAPEUTICS CO LTD (CN) 2025-05-28 EP disclosed
CN-116848113-A Bicyclic compounds as HPK1 inhibitors and application thereof 南京再明医药有限公司 2023-10-03 CN disclosed
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 WO disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-11459339-B2 Biaryl derivative, preparation method thereof and pharmaceutical application thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-10-04 US disclosed
EP-3585774-B1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20200060273-A1 FUNGICIDAL COMPOSITIONS NOVUS INTERNATIONAL, INC. 2020-02-27 US disclosed
WO-2019149183-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2019-08-08 WO disclosed
WO-2019020828-A9 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-04-11 WO disclosed
WO-2019020828-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-01-31 WO disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (6 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TDP1 4271/4885ALDH1A1 1651/4885MEN1 1626/4885
US-20200060273-A1 FUNGICIDAL COMPOSITIONS ERG28, CYP51A1, CYP19A1 TDP1 1139/4885ALDH1A1 1213/4885MEN1 1189/4885
US-11459339-B2 Biaryl derivative, preparation method thereof and pharmaceutical application thereof PDCD1, PDCD1LG2, CD274 TDP1 3068/4885ALDH1A1 281/4885MEN1 3519/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885ALDH1A1 2369/4885MEN1 4495/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TDP1 70/4885ALDH1A1 623/4885MEN1 2927/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TDP1 70/4885ALDH1A1 623/4885MEN1 2927/4885

“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.