Sugi Predict

Sugi Predict / Compounds / SCHEMBL231697

SCHEMBL231697

SCHEMBL231697

O=[N+]([O-])c1cc[c]cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.45
▸ VCAM1 P19320 6/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37

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
SCHEMBL19859 0.83 VCAM1 (0.46) TSHRMAPK1TDP1VCAM1HPGD
SCHEMBL27817013 0.82 VCAM1 (0.44) TSHRMAPK1TDP1VCAM1HPGD
SCHEMBL57882 0.80 TSHR (0.40) TSHRMAPK1TDP1ALDH1A1CYP3A4
SCHEMBL6811410 0.79 — —
SCHEMBL232701 0.75 ALDH1A1 (0.37) TSHRTDP1PDE7AALDH1A1CYP3A4
SCHEMBL2783828 0.75 TDP1 (0.48) TSHRMAPK1TDP1PDE7AALDH1A1
SCHEMBL29172280 0.75 PARP1 (0.37) TSHRMAPK1TDP1HPGDALDH1A1
SCHEMBL458354 0.75 HSD17B10 (0.52) TSHRTDP1HPGDALDH1A1CYP3A4
SCHEMBL158733 0.75 GPR35 (0.47) TSHRMAPK1TDP1CA1CA2
SCHEMBL407090 0.75 TDP1 (0.48) TSHRMAPK1TDP1VCAM1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240533-B Preparation method of N, N-dimethyl sulfonamide derivative 河南科技大学 2022-03-18 — — 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
CN-110240533-A The preparation method of N, N- dimethyl sulfonamide analog derivative 河南科技大学 2019-09-17 — — CN claimed
CN-110218167-A N, N- dimethyl aromatic radical sulfonic acid amide derivatives and its application in terms of preventing and treating Meloidogyne incognita 河南科技大学 2019-09-10 — — CN claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 — — EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 — — US claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 — — US claimed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 — — CN claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 — — EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 — — WO claimed
EP-0164018-B1 CHROMOGENIC 4,4-DIARYL-DIHYDROQUINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1990-10-31 — — EP claimed
US-4695633-A Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 — — US claimed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 — — EP claimed
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 — — US disclosed
WO-2023208710-A1 HERBICIDAL 2-OXO-NICOTINIC ACID DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-11-02 — — WO disclosed
EP-4255889-A1 HERBICIDAL DERIVATIVES Syngenta Crop Protection AG (CH) 2023-10-11 — — EP disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 — — US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 — — US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 — — 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-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 TSHR 4852/4885MAPK1 2443/4885TDP1 1443/4885
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 TSHR 662/4885MAPK1 1314/4885TDP1 2093/4885

“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.