Sugi Predict

Sugi Predict / Compounds / SCHEMBL387257

SCHEMBL387257

SCHEMBL387257

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ VCAM1 P19320 1/20 0.38
▸ KIF18A Q8NI77 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE7A Q13946 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6232173 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRTDP1VCAM1
SCHEMBL6192327 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRTDP1FBP1
SCHEMBL6191703 0.80 AHR (0.38) ALDH1A1MAPK1TSHRTDP1VCAM1
SCHEMBL8123559 0.79 PDE7A (0.41) ALDH1A1MAPK1TSHRTDP1PDE7A
SCHEMBL9937260 0.79 TSHR (0.31) ALDH1A1MAPK1TSHRTDP1
SCHEMBL26325 0.77 TSHR (0.48) ALDH1A1MAPK1TSHRTDP1HSD17B10
SCHEMBL6257261 0.75 SNCA (0.33) TSHRLMNAMEN1KMT2A
SCHEMBL2131010 0.75 S100A4 (0.34) ALDH1A1TSHRTDP1LMNAPOLB
SCHEMBL441113 0.75 TSHR (0.45) ALDH1A1MAPK1TSHRTDP1HSD17B10
SCHEMBL590426 0.75 TDP1 (0.44) ALDH1A1TSHRTDP1VCAM1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 — — US claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 — — CN claimed
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis ZHENGZHOU UNIVERSITY (CN) 2022-06-28 — — US claimed
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 — — CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 — — CN claimed
CN-110218167-B N, N-dimethyl aryl sulfonamide derivative and application thereof in preventing and treating meloidogyne incognita 河南科技大学 2021-09-24 — — CN claimed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 — — EP claimed
CN-109730990-B Application of 15-benzylidene-14-deoxy-11, 12-dehydroandrographolide derivative in anti-fibrosis drugs 郑州大学 2021-07-02 — — CN claimed
CN-111848548-A 5-substituted-1, 3, 4-thiadiazole Schiff base derivative and preparation method and application thereof 天津科技大学 2020-10-30 — — CN claimed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 — — US claimed
EP-0247737-A1 Thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-02 — — EP claimed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 — — EP claimed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 — — EP claimed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 — — EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 — — US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 — — EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 — — EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 — — EP claimed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 — — US claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 — — US claimed

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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 575/4885MAPK1 1375/4885TSHR 494/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 527/4885MAPK1 1343/4885TSHR 497/4885
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis MMP1, CYP27A1, PYGL ALDH1A1 356/4885MAPK1 1938/4885TSHR 3349/4885

“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.