Sugi Predict

Sugi Predict / Compounds / SCHEMBL666308

SCHEMBL666308

SCHEMBL666308

COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ MEN1 O00255 7/20 0.62
▸ KMT2A Q03164 7/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ MAPT P10636 11/20 0.59
▸ HTT P42858 1/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ LMNA P02545 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44

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
SCHEMBL30514054 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL5666638 0.91 MAPT (0.53) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL1780918 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL8482389 0.83 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL28834807 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL29901692 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL24735724 0.81 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL12395547 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL20825815 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL25389884 0.81 CYP1A2 (0.55) ALDH1A1MEN1KMT2AMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4037687-B1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS MOLECULAR SKIN THERAPEUTICS INC (US) 2025-10-29 — — EP disclosed
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2025-04-22 — — US disclosed
CN-114615984-B Benzoxazinone compounds as dual KLK5/7 inhibitors 分子皮肤治疗公司 2025-02-07 — — CN disclosed
CN-118005766-B Solid phase synthesis method of Glepaglutide 杭州信海医药科技有限公司 2024-09-27 — — CN disclosed
CN-118005766-A Solid phase synthesis method of Glepaglutide 杭州信海医药科技有限公司 2024-05-10 — — CN disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS ML Bio Solutions Inc. 2024-02-29 — — US disclosed
CN-116751278-B Preparation method of Glepaglutide 杭州信海医药科技有限公司 2024-02-13 — — CN disclosed
CN-116751278-A Preparation method of Glepaglutide 杭州信海医药科技有限公司 2023-09-15 — — CN disclosed
US-8598342-B2 Methods and compounds for antimicrobial intervention PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-12-03 — — US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 — — US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 — — US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 — — US disclosed
EP-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 — — EP disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 — — US disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 — — EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 — — WO disclosed
US-4011323-A ANTIOBESITY AND ANTIDIABETIC SANDOZ, INC. (US) 1977-03-08 — — US disclosed
US-3931179-A ANTIOBESITY SANDOZ INC. (US) 1976-01-06 — — 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 (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-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION FDFT1, COASY, KAT5 ALDH1A1 4179/4885MEN1 4178/4885KMT2A 2287/4885
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 ALDH1A1 1224/4885MEN1 2925/4885KMT2A 1765/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 ALDH1A1 1224/4885MEN1 2925/4885KMT2A 1765/4885

“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.