Sugi Predict

Sugi Predict / Compounds / SCHEMBL1145909

SCHEMBL1145909

SCHEMBL1145909

CSc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.71
▸ TSHR P16473 4/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ACHE P22303 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL1818188 0.86 HSP90AA1 (0.74) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL4909394 0.85 HSP90AA1 (0.79) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL30468119 0.83 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL11356136 0.83 HSP90AA1 (0.77) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL20347051 0.83 HSP90AA1 (0.77) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL288227 0.83 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL31482901 0.83 HSP90AA1 (1.00) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL31405188 0.83 HSP90AA1 (0.77) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL288228 0.80 HSP90AA1 (0.71) HSP90AA1TSHRLMNAACHEALDH1A1
SCHEMBL1818189 0.80 HSP90AA1 (0.71) HSP90AA1TSHRLMNAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 — — CN claimed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 — — US claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 — — US claimed
US-20240336574-A1 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. 2024-10-10 — — US disclosed
EP-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 — — EP disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 — — CN disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 — — WO disclosed
CN-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 — — CN disclosed
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 — — CN disclosed
US-9920059-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
EP-2550257-B1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2016-12-21 — — EP disclosed
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 — — EP disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 — — US disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 — — US disclosed
EP-0011370-A1 Process for preparing 2-chlorosulfinyl-azetidinones ELI LILLY AND COMPANY (US) 1980-05-28 — — EP disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 — — US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 — — US disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 — — US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 — — US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 — — 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-20240336574-A1 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE P2RX5, HRH4, TRPV1 HSP90AA1 3445/4885TSHR 3439/4885LMNA 3950/4885

“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.