SCHEMBL359531

SCHEMBL359531

CC(=O)c1ccc2ncccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.69
HTT P42858 1/20 0.69
PLK1 P53350 1/20 0.69
DOT1L Q8TEK3 1/20 0.60
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
POLB P06746 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
PABPC1 P11940 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
GAA P10253 1/20 0.53
MAP4K4 O95819 1/20 0.51
CSNK1G2 P78368 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL29924709 1.00 ALOX15 (0.69) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL14539003 0.87 NPC1 (0.66) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL29977567 0.86 MEN1 (0.55) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL9360254 0.86 MEN1 (0.55) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL27856105 0.85 DOT1L (0.73) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL5657576 0.84 NPC1 (0.78) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL29489054 0.84 HTT (0.66) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL323178 0.84 HTT (0.66) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL17035961 0.83 ALOX15 (0.49) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL2270839 0.82 ALOX15 (0.64) ALOX15HTTPLK1DOT1LNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039135-A Carboxyl chalcone derivative and preparation method and application thereof 四川大学 2024-11-29 CN claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
CN-119039135-A Carboxyl chalcone derivative and preparation method and application thereof 四川大学 2024-11-29 CN disclosed
CN-119019327-A Acetylation method of quinoline or isoquinoline compounds 常州工程职业技术学院 2024-11-26 CN disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
EP-3183250-B1 PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL CLAP CO LTD (KR) 2023-10-04 EP disclosed
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 disclosed
CN-114081890-B Application of pyrimidinone derivative in resisting tubercle bacillus infection 中国医学科学院医药生物技术研究所 2023-06-02 CN disclosed
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOG (CN) 2023-05-25 US disclosed
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOG (CN) 2023-05-25 US disclosed
EP-0946587-A2 NEW AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
EP-0914322-A1 NEW INDOLYL AND BENZOFURANYL CARBOXAMIDES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed
EP-0822814-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-12-09 EP disclosed
WO-1998027108-A2 NEW AMIDE COMPOUNDS AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO disclosed
EP-0822814-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-02-11 EP disclosed
WO-1997045425-A1 NEW INDOLYL AND BENZOFURANYL CARBOXAMIDES AS INHIBITORS OF NITRIC OXIDE PRODUCTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-04 WO disclosed
US-5668148-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1996032938-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-10-24 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 (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 ALOX15 1095/4885HTT 3648/4885PLK1 4061/4885
US-20230158141-A1 Conjugates of Biomolecule and Use Thereof CD47, FCGR2A, CD40 ALOX15 831/4885HTT 4233/4885PLK1 195/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR ALOX15 4022/4885HTT 2419/4885PLK1 273/4885

“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.