SCHEMBL5156571

SCHEMBL5156571

CC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
GRIK1 P39086 1/20 0.54
KMT2A Q03164 2/20 0.53
CYP19A1 P11511 1/20 0.52
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 4/20 0.51
MPO P05164 1/20 0.51
DYRK1A Q13627 1/20 0.50
SORT1 Q99523 1/20 0.48
HTT P42858 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48

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
SCHEMBL3279807 0.88 MAPT (0.72) SMN1; SMN2MAPTALDH1A1KMT2ACYP19A1
SCHEMBL3606284 0.85 SMN1; SMN2 (0.76) SMN1; SMN2MAPTALDH1A1KMT2ACYP19A1
SCHEMBL10542066 0.84 ALDH1A1 (0.55) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL7974577 0.84 ALDH1A1 (0.55) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL3694733 0.84 MAPT (0.77) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL12703765 0.84 KMT2A (0.61) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL1663739 0.84 MAPT (0.56) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL14574207 0.84 MAPT (0.55) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL18499349 0.83 LMNA (0.53) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15
SCHEMBL2031092 0.83 KCNK2 (0.64) SMN1; SMN2MAPTALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 CN claimed
CN-117510414-A Preparation method of hypnone hapten and complete antigen 深圳市质量安全检验检测研究院(深圳市动物疫病预防控制中心) 2024-02-06 CN claimed
CN-115850100-A Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2023-03-28 CN claimed
WO-2025064325-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2025-03-27 WO disclosed
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 CN disclosed
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 CN disclosed
CN-117510414-A Preparation method of hypnone hapten and complete antigen 深圳市质量安全检验检测研究院(深圳市动物疫病预防控制中心) 2024-02-06 CN disclosed
CN-115850100-A Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2023-03-28 CN disclosed
CN-115850100-A Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2023-03-28 CN disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
WO-1997010221-A1 SYNTHESIS OF QUINAZOLINONE LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-03-20 WO disclosed
EP-0317645-B1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1993-09-15 EP disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
US-4980287-A ANTIINFLAMMATORY AGENTS; INHIBITOR OF DEGENERATION AND DESTRUCTION OF TISSUES TEIJIN LIMITED (JP) 1990-12-25 US disclosed
EP-0317645-A1 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS AND SERINE PROTEASE-INHIBITING MEDICINAL COMPOSITION CONTAINING SAME TEIJIN LIMITED (JP) 1989-05-31 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP disclosed
US-4307113-A TREATMENT OF DIABETES SANDOZ, INC. (US) 1981-12-22 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 (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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SMN1; SMN2 4245/4885MAPT 3296/4885ALDH1A1 120/4885

“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.