Sugi Predict

Sugi Predict / Compounds / SCHEMBL1865348

SCHEMBL1865348

SCHEMBL1865348

O=C(O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 6/20 0.56
▸ AKR1B10 O60218 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ KDM1A O60341 1/20 0.47

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
SCHEMBL2651409 1.00 VCAM1 (0.56) VCAM1AKR1B10AKR1B1CA2ALDH1A1
SCHEMBL1857263 0.88 CA2 (0.59) VCAM1AKR1B1CA2ALDH1A1KDM4E
SCHEMBL2645028 0.85 VCAM1 (0.54) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL10006096 0.84 VCAM1 (0.50) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL1865824 0.84 CASP6 (0.55) AKR1B1CA2ALDH1A1KDM4EPOLB
SCHEMBL8781357 0.84 VCAM1 (0.53) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL731999 0.81 MEN1 (0.56) VCAM1ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8421389 0.81 VCAM1 (0.50) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL2710180 0.81 MAPT (0.59) CA2ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL15272523 0.81 CYP1A2 (0.71) AKR1B1CA2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2025-06-19 — — US disclosed
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 — — EP disclosed
CN-114702390-B Preparation method of 4-chloro-3-nitroanisole 常州佳德医药科技有限公司 2024-07-30 — — CN disclosed
US-20230271918-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-31 — — US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 — — US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 — — US disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
CN-109983014-B Mutant isocitrate dehydrogenase inhibitors, compositions and methods thereof 艾科生物科技有限公司 2022-12-23 — — CN disclosed
CN-114702390-A Preparation method of 4-chloro-3-nitrobenzyl ether 常州佳德医药科技有限公司 2022-07-05 — — CN disclosed
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 — — US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
WO-1999062906-A1 BENZOTHIAZOLYTHIOMETHYL CARBAPENEM ANTIBACTERIAL MERCK & CO., INC. (US) 1999-12-09 — — WO disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 — — EP disclosed
EP-0386839-B1 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME (GB) 1997-01-15 — — EP disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 — — EP disclosed
US-5496816-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO., INC. (US) 1996-03-05 — — US disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 — — WO disclosed
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 — — US disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 — — EP disclosed
EP-0167288-A2 4-(2-(N,N-disubstituted-amino)ethyl]isatins SMITHKLINE BEECHAM CORPORATION (US) 1986-01-08 — — EP 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 (4 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-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 VCAM1 3947/4885AKR1B10 2818/4885AKR1B1 2024/4885
US-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, SAAL1 VCAM1 516/4885AKR1B10 816/4885AKR1B1 773/4885
US-20230271918-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP30, USP1 VCAM1 4042/4885AKR1B10 2747/4885AKR1B1 2716/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 VCAM1 3815/4885AKR1B10 116/4885AKR1B1 97/4885

“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.