SCHEMBL531728

SCHEMBL531728

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.64
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
XDH P47989 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
HPGD P15428 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL7169220 0.88 ERN1 (0.64) VCAM1CA12CA1CA2CA7
SCHEMBL223930 0.87 XDH (0.61) VCAM1CA12CA1CA2CA7
SCHEMBL29433264 0.87 XDH (0.61) VCAM1CA12CA1CA2CA7
SCHEMBL5734347 0.86 VCAM1 (0.68) VCAM1HPGDALDH1A1NPSR1KMT2A
SCHEMBL11378677 0.85 VCAM1 (0.62) VCAM1HPGDALDH1A1NPSR1KMT2A
SCHEMBL16254547 0.85 CA12 (0.62) VCAM1CA12CA1CA2CA7
SCHEMBL30863327 0.85 VCAM1 (0.66) VCAM1HPGDALDH1A1NPSR1KMT2A
Methylparaben SCHEMBL11186597 0.84 CA12 (0.54) VCAM1CA12CA1CA2CA7
SCHEMBL1179444 0.84 ERN1 (0.67) VCAM1CA12CA1CA2CA7
SCHEMBL559830 0.83 VCAM1 (0.64) VCAM1HPGDALDH1A1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-4733299-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Braegen Pharmaceutical Co., Ltd. (CN) 2026-04-29 EP disclosed
EP-4337651-B1 SUBSTITUTED BENZAMIDES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2026-02-04 EP disclosed
EP-4631942-A1 PAN-KRAS DEGRADING AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-10-15 EP disclosed
US-12435066-B2 Substituted tricyclic compounds LUPIN LIMITED (IN) 2025-10-07 US disclosed
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
CN-119818693-A Cleavable branched chain connector compound for prodrug administration system, preparation and application thereof 华东师范大学 2025-04-15 CN disclosed
WO-2024240186-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳博芮健制药有限公司 2024-11-28 WO disclosed
US-20240254111-A1 SUBSTITUTED BENZAMIDES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-08-01 US disclosed
CN-114746411-B Substituted tricyclic compounds 印度鲁宾有限公司 2024-06-25 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-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0137242-A2 (Substituted) Phenyl-aliphatic-isoxazoles useful as antiviral agents and preparation thereof STERLING WINTHROP INC. (US) 1985-04-17 EP disclosed
US-3952058-A Sweetener DYNAPOL (US) 1976-04-20 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 US 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 (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-20240254111-A1 SUBSTITUTED BENZAMIDES AS HERBICIDES CBR3, H1-3, H1-4 VCAM1 4884/4885CA12 1475/4885CA1 929/4885
US-12435066-B2 Substituted tricyclic compounds SOS1, RSU1, KSR1 VCAM1 3044/4885CA12 3964/4885CA1 2843/4885

“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.