SCHEMBL1028675

SCHEMBL1028675

O=[N+]([O-])c1c[c]ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL158733 0.83 GPR35 (0.47) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL57882 0.80 TSHR (0.40) GPR35MAPK1ALDH1A1TSHRALOX15
SCHEMBL15121292 0.79 MAPK1 (0.33) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL6800906 0.78 TDP1 (0.38) GPR35MAPK1ALDH1A1TP53TSHR
SCHEMBL58127 0.77 HSD17B10 (0.54) ALDH1A1TSHRSMN1; SMN2L3MBTL1HSD17B10
SCHEMBL1028967 0.77 TDP1 (0.50) GPR35MAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL710076 0.75 ALDH1A1 (0.47) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL247495 0.75 PARP1 (0.41) GPR35MAPK1HPGDALDH1A1TSHR
SCHEMBL19859 0.75 VCAM1 (0.46) GPR35MAPK1HPGDALDH1A1TSHR
SCHEMBL2783828 0.75 TDP1 (0.48) GPR35MAPK1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-116162379-A Degradable protective coating and preparation method thereof 无锡市造漆厂有限公司 2023-05-26 CN 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
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP 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
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP 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
WO-2005113582-A1 SUBSTITUTED ETHANE-1,2-DIAMINES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 WO claimed
CN-1216851-C Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2005-08-31 CN claimed
CN-1426390-A Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2003-06-25 CN claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
EP-0960084-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1999-12-01 EP claimed
WO-1998033751-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1998-08-06 WO claimed
EP-0113572-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-02-03 EP claimed
US-4547506-A 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-15 US claimed
EP-0113572-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 EP claimed
US-4085261-A CHELATING AGENT WITH A STYRENE POLYMER BACKBONE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-04-18 US 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 (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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION DHPS, DHFR, QDPR GPR35 2796/4885MAPK1 954/4885HPGD 192/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 GPR35 1875/4885MAPK1 3817/4885HPGD 82/4885

“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.