Sugi Predict

Sugi Predict / Compounds / SCHEMBL575045

SCHEMBL575045

SCHEMBL575045

CC(C(=O)O)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ CFTR P13569 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ GOPC Q9HD26 1/20 0.52
▸ CYP17A1 P05093 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ TBXAS1 P24557 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ PTGS2 P35354 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ APP P05067 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6259017 1.00 AKR1C3 (0.57) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
SCHEMBL27446830 0.98 AKR1C3 (0.56) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
Hydrochloric Acid SCHEMBL4076278 0.98 AKR1C3 (0.56) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
SCHEMBL22899009 0.89 CYP19A1 (0.51) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
SCHEMBL27492286 0.86 CYP19A1 (0.52) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
Pyridine SCHEMBL28233602 0.85 SMN1; SMN2 (0.50) AKR1C3AKR1C2SMN1; SMN2CFTRSLC6A2
SCHEMBL9484991 0.84 NAPRT (0.53) AKR1C3AKR1C2SMN1; SMN2CYP19A1TBXAS1
SCHEMBL17233832 0.83 CYP17A1 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL30159419 0.83 CYP17A1 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL17233924 0.83 CYP17A1 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116936810-B Positive pole piece of sodium ion battery and sodium ion battery 天鹏锂能技术(淮安)有限公司 2023-12-12 — — CN claimed
CN-116936810-A Positive pole piece of sodium ion battery and sodium ion battery 天鹏锂能技术(淮安)有限公司 2023-10-24 — — CN claimed
WO-2023137518-A1 PLATINUM COMPLEXES Western Sydney University (AU) 2023-07-27 — — WO claimed
WO-2022077791-A1 NEW INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUG 杭州星鳌生物科技有限公司 2022-04-21 — — WO claimed
CN-114369060-A Novel indoleamine 2, 3-dioxygenase inhibitor and application thereof in preparing antitumor drugs 杭州星鳌生物科技有限公司 2022-04-19 — — CN claimed
CN-103145707-B The preparation method of hydrogenated pyridine [4,3-b] Benzazole compounds Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) 2016-05-25 — — CN claimed
EP-2721029-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2014-04-23 — — EP claimed
EP-2581374-B1 Preparation of tetrahydropyrido[4,3-b]indole derivatives INST PHARM & TOXICOLOGY AMMS (CN) 2014-03-19 — — EP claimed
EP-2581374-A1 Preparation of tetrahydropyrido[4,3-b]indole derivatives Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2013-04-17 — — EP claimed
WO-2012174199-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-20 — — WO claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 — — EP claimed
US-7723425-B2 Pigment compositions with modified ATRP copolymer dispersants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 — — US claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 — — WO claimed
CN-101343366-A Nano-laminal compound with regular array of pyridine and its derivant, and preparation thereof UNIV SHANGHAI (CN) 2009-01-14 — — CN claimed
WO-2007053773-A1 COMPOSITIONS AND METHODS USING NICOTINIC ACID FOR TREATMENT OF HYPERCHOLESTEROLEMIA, HYPERLIPIDEMIA AND CARDIOVASCULAR DISEASE HENDRIX CURT (US) 2007-05-10 — — WO claimed
US-20070105793-A1 Compositions and methods using nicotinic acid for treatment of hypercholesterolemia, hyperlipidemia nd cardiovascular disease CONCOURSE HEALTH SCIENCES LLC 2007-05-10 — — US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 — — EP claimed
WO-2005045430-A1 SCREENING COMBINATORIAL BEAD LIBRARIES FOR CANCER LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-19 — — WO claimed
US-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-20 — — 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 (1 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-20040096906-A1 Method for screening combinatorial bead library; ligands for cancer cells EPCAM, MKI67, FGFR3 AKR1C3 2915/4885AKR1C2 2395/4885SMN1; SMN2 4804/4885

“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.