SCHEMBL223930

SCHEMBL223930

COC(=O)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
VCAM1 P19320 1/20 0.60
TPMT P51580 1/20 0.53
ERN1 O75460 2/20 0.52
GPR35 Q9HC97 1/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL29433264 1.00 XDH (0.61) XDHCA12CA1CA2CA7
SCHEMBL2797668 0.94 TPMT (0.58) XDHCA12CA1CA2CA7
SCHEMBL2797670 0.90 MAPT (0.51) XDHCA12CA1CA2CA7
SCHEMBL531728 0.87 VCAM1 (0.64) XDHCA12CA1CA2CA7
SCHEMBL5734347 0.86 VCAM1 (0.68) VCAM1ERN1HPGDALDH1A1NPSR1
SCHEMBL1890677 0.83 TSHR (0.68) VCAM1HPGDALDH1A1NPSR1LMNA
SCHEMBL4753199 0.83 VCAM1 (0.60) VCAM1ERN1HPGDALDH1A1NPSR1
SCHEMBL25484994 0.83 GPR35 (0.47) CA12CA1CA2CA9CA14
SCHEMBL460048 0.83 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL310574 0.82 VCAM1 (0.58) VCAM1HPGDALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664845-A Preparation method of Plk (Polo-like kinase) inhibitor drug intermediate 7-amino-2,3-dihydrobenzofuran-4-formic acid HUNAN OUYA BIOLOG CO LTD 2014-03-26 CN claimed
US-12577217-B2 15-PGDH inhibitor KYORIN PHARMACEUTICAL CO., LTD. (JP) 2026-03-17 US disclosed
EP-3848370-B1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2025-05-07 EP disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2025-04-10 US disclosed
CN-119735519-A Method for improving clarity and color of solution in oxybuprocaine hydrochloride 辰欣药业股份有限公司 2025-04-01 CN disclosed
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 US disclosed
US-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-13 US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
US-20250002455-A1 NEW N-PHENYLPYRROLAMIDE INHIBITORS OF DNA GYRASE AND TOPOISOMERASE IV WITH ANTIBACTERIAL ACTIVITY UNIV LJUBLJANI (SI) 2025-01-02 US disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed
EP-0018731-B1 MACROMOLECULAR GLYCOSIDASE SUBSTRATES SYVA COMPANY (US) 1983-01-12 EP disclosed
US-4281061-A DETECTABLE SIGNAL FROM FLUORESCENT DYE OR LABELED ENZYME SYVA COMPANY (US) 1981-07-28 US disclosed
US-4268663-A COMPRISING A POLYSACCHARIDE SUPPORT, AN AMINE-CONTAINING SPACER ARM, AND A CHROMOGEN ENZYMATICALLY LABILE-LINKED TO A MONOSACCHARIDE; IMMUNOASSAY SYVA COMPANY (US) 1981-05-19 US disclosed
WO-1981000261-A1 CHARGE EFFECTS IN IMMUNOASSAYS SYVA CO (US) 1981-02-05 WO disclosed
EP-0018731-A1 Macromolecular glycosidase substrates SYVA COMPANY (US) 1980-11-12 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 (7 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-20250002455-A1 NEW N-PHENYLPYRROLAMIDE INHIBITORS OF DNA GYRASE AND TOPOISOMERASE IV WITH ANTIBACTERIAL ACTIVITY TOP1, TOP2A, TOP2B XDH 394/4885CA12 4030/4885CA1 3352/4885
US-12577217-B2 15-PGDH inhibitor PTGDR, ADH1A, ADRA1A XDH 471/4885CA12 2443/4885CA1 1410/4885
US-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD XDH 2933/4885CA12 4112/4885CA1 2894/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R XDH 392/4885CA12 3756/4885CA1 3577/4885
US-20250114460-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 XDH 3822/4885CA12 4605/4885CA1 4096/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R XDH 392/4885CA12 3756/4885CA1 3577/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B XDH 470/4885CA12 2788/4885CA1 2285/4885

“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.