Sugi Predict

Sugi Predict / Compounds / SCHEMBL317481

SCHEMBL317481

SCHEMBL317481

COc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42
▸ TUBB8 Q3ZCM7 2/20 0.42
▸ TUBA3E Q6PEY2 2/20 0.42

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
SCHEMBL429269 0.87 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1HTTCYP3A4
SCHEMBL3580690 0.81 PDK1 (0.47) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL4521634 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1HTTKDM4EMAPT
SCHEMBL21268339 0.80 NPC1 (0.50) ALDH1A1HTTKDM4EMAPTLMNA
SCHEMBL20138635 0.80 SMN1; SMN2 (0.41) ALDH1A1TDP1L3MBTL1HTTKDM4E
SCHEMBL17046393 0.78 MAPT (0.49) ALDH1A1TDP1L3MBTL1MAPTLMNA
SCHEMBL16953775 0.77 MEN1 (0.34) ALDH1A1TDP1HTTCYP3A4MAPT
SCHEMBL10819050 0.77 ALDH1A1 (0.36) ALDH1A1TDP1CYP3A4MAPTALOX15
SCHEMBL58127 0.76 HSD17B10 (0.54) ALDH1A1TDP1L3MBTL1CYP3A4MAPT
SCHEMBL6978078 0.76 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603183-A 1,3-dithiane modified alpha, beta-unsaturated derivative and preparation method thereof 兰州大学 2024-02-27 — — CN claimed
US-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-09-28 — — US claimed
EP-4180429-A1 PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2023-05-17 — — EP claimed
CN-115974844-A 3,4,5-trimethoxyphenyl derivative and application thereof 广东省科学院动物研究所 2023-04-18 — — CN claimed
CN-114081890-A Application of pyrimidone derivatives in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2022-02-25 — — CN claimed
CN-111925368-B Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2021-11-05 — — CN claimed
CN-112939989-A 7- (3, 4-dimethoxy-5-selenomethylphenyl) -pyrrolo [2,3-d ] pyrimidine and application thereof 广东省科学院动物研究所 2021-06-11 — — CN claimed
CN-111925368-A Pyrimidone derivatives, preparation method thereof and application thereof in resisting mycobacterium tuberculosis infection 中国医学科学院医药生物技术研究所 2020-11-13 — — CN claimed
CN-109438358-A A kind of imdazole derivatives and application thereof 南方医科大学 2019-03-08 — — CN claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 — — US claimed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — US claimed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP claimed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO claimed
US-6407100-B1 HORTICULTURE, AGRICULTURE, WOOD PRESERVATION BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 — — US claimed
US-6211240-B1 INSECTICIDES NOVARTIS CORPORATION 2001-04-03 — — US claimed
EP-0651737-B1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA GEIGY AG (CH) 1998-07-29 — — EP claimed
EP-0777645-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 1997-06-11 — — EP claimed
WO-1996006072-A1 OXIME ETHERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1996-02-29 — — WO claimed
EP-0651737-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES Novartis AG (CH) 1995-05-10 — — EP claimed
WO-1994026700-A1 O-BENZYL OXIME ETHER DERIVATIVES AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1994-11-24 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION DHPS, DHFR, QDPR ALDH1A1 234/4885TDP1 2319/4885L3MBTL1 2932/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALDH1A1 1676/4885TDP1 1234/4885L3MBTL1 4698/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 ALDH1A1 2482/4885TDP1 2834/4885L3MBTL1 607/4885

“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.