SCHEMBL417424

SCHEMBL417424

O=C(O)c1cc(O)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SRD5A2 P31213 1/20 0.48
HCAR1 Q9BXC0 3/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX5 P09917 2/20 0.45
LMNA P02545 2/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL31022463 1.00 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL232779 0.87 TP53 (0.64) CA1CA2TP53TDP1CYP3A4
SCHEMBL132541 0.87 CYP3A4 (0.65) CA1CA2TP53TDP1CYP3A4
SCHEMBL29944162 0.87 CYP3A4 (0.65) CA1CA2TP53TDP1CYP3A4
SCHEMBL9133420 0.85 TP53 (0.62) CA1CA2TP53TDP1CYP3A4
Hydrochloric Acid SCHEMBL3088495 0.85 TP53 (0.62) CA1CA2TP53TDP1CYP3A4
Methane SCHEMBL7896214 0.85 TP53 (0.62) CA1CA2TP53TDP1CYP3A4
SCHEMBL28837773 0.85 CYP3A4 (0.63) CA1CA2TP53TDP1CYP3A4
Hydrochloric Acid SCHEMBL2299193 0.85 TP53 (0.62) CA1CA2TP53TDP1CYP3A4
SCHEMBL28837769 0.85 CYP3A4 (0.63) CA1CA2TP53TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118703088-B Ageing-resistant acrylic resin waterproof paint 内蒙古安特威盾防水科技有限公司 2024-11-19 CN claimed
CN-118703088-A Ageing-resistant acrylic resin waterproof paint 内蒙古安特威盾防水科技有限公司 2024-09-27 CN claimed
CN-118461327-B Preparation process and application of modified carbon fiber with high specific surface area 烟台奥森制动材料有限公司 2024-09-13 CN claimed
CN-118461327-A Preparation process and application of modified carbon fiber with high specific surface area 烟台奥森制动材料有限公司 2024-08-09 CN claimed
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence SHIMADZU CORPORATION (JP) 2020-04-21 US claimed
EP-3246706-A1 METHOD FOR SPECIFIC CLEAVAGE OF C(ALPHA)-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE Shimadzu Corporation (JP) 2017-11-22 EP claimed
US-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE SHIMADZU CORPORATION (JP) 2017-11-16 US claimed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
CN-116478130-B N-hydroxyquinoline carboxamide compounds and uses thereof 深圳默元生物科技有限公司 2025-05-30 CN disclosed
CN-119751443-A Nitrogen-containing condensed ring compound, pharmaceutical composition containing same and application thereof 杭州禹泓医药科技有限公司 2025-04-04 CN disclosed
CN-118703088-B Ageing-resistant acrylic resin waterproof paint 内蒙古安特威盾防水科技有限公司 2024-11-19 CN disclosed
CN-118703088-A Ageing-resistant acrylic resin waterproof paint 内蒙古安特威盾防水科技有限公司 2024-09-27 CN disclosed
CN-118461327-B Preparation process and application of modified carbon fiber with high specific surface area 烟台奥森制动材料有限公司 2024-09-13 CN disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-4337272-A BRONCHODILATOR AGENTS VALEAS S. R. L. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1982-06-29 US disclosed
US-4252824-A BRONCHODILATOR AGENTS VALEAS S.R.L., INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-02-24 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 (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-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 CA1 1163/4885CA2 462/4885CA12 487/4885
US-20170327533-A1 METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE CPN1, CYBA, CRYAB CA1 115/4885CA2 110/4885CA12 212/4885
US-10626141-B2 Method for specific cleavage of C alpha-C bond and side chain of protein and peptide, and method for determining amino acid sequence CPN1, CYBA, CRYAB CA1 115/4885CA2 110/4885CA12 212/4885

“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.