Sugi Predict

Sugi Predict / Compounds / SCHEMBL588286

SCHEMBL588286

SCHEMBL588286

Cc1c([N+](=O)[O-])ccc(N)c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.55
▸ TDP1 Q9NUW8 6/20 0.54
▸ CYP3A4 P08684 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RECQL P46063 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1683191 0.85 TSHR (0.57) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL2056814 0.83 TSHR (0.60) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL30711152 0.83 TSHR (0.55) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL1265339 0.83 TSHR (0.55) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL28038852 0.82 TSHR (0.53) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL2006430 0.82 TSHR (0.53) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL11108047 0.80 TDP1 (0.54) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL899707 0.80 TDP1 (0.52) TSHRTDP1CYP3A4ALDH1A1MEN1
SCHEMBL21373613 0.80 TSHR (0.52) TSHRTDP1CYP3A4ALDH1A1MAPT
SCHEMBL11594677 0.80 TSHR (0.52) TSHRTDP1CYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020155925-A1 NITROALKYL QUINOXALINE OR DERIVATIVE THEREOF, AMINOALKYL QUINOXALINE OR DERIVATIVE THEREOF, AND SYNTHESIS METHOD THEREFOR 上海交通大学 2020-08-06 — — WO claimed
CN-109608406-A A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method 上海交通大学 2019-04-12 — — CN claimed
CN-108840827-A The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof 同济大学 2018-11-20 — — CN claimed
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate SHILPA MEDICARE LTD (IN) 2015-06-25 — — US claimed
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE SHAILPA MEDICARE LIMITED (IN) 2013-08-22 — — US claimed
CN-118159533-A Heterocyclic compounds and their use 艾森医药有限公司 2024-06-07 — — CN disclosed
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 — — EP disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 — — US disclosed
WO-2024083208-A1 KIF18A PROTEIN INHIBITOR 杭州邦顺制药有限公司 2024-04-25 — — WO disclosed
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 — — CN disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 — — CN disclosed
CN-114671856-B Polysubstituted uracil derivative and use thereof 广东东阳光药业股份有限公司 2023-10-20 — — CN disclosed
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 — — US disclosed
CN-1137794-A 5-(2-imidazolinylamino) benzimidazole derivatives, their preparation and their use as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 — — CN disclosed
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 — — EP disclosed
EP-0735877-A1 6-(2-IMIDAZOLINYLAMINO)QUINOXALINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 — — EP disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 — — US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 — — US disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 — — WO disclosed
WO-1995016449-A1 6-(2-IMIDAZOLINYLAMINO)QUINOXALINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 — — WO 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 TSHR 2847/4885TDP1 3499/4885CYP3A4 430/4885
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE FLT3, TYMP, SBDS TSHR 1917/4885TDP1 867/4885CYP3A4 730/4885
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate BHMT, FOLR2, SMCHD1 TSHR 3955/4885TDP1 743/4885CYP3A4 742/4885

“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.