SCHEMBL666309

SCHEMBL666309

COC(=O)c1cc2c(cc1N)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 7/20 1.00
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 3/20 0.51
GAA P10253 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 2/20 0.46

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
SCHEMBL31082315 1.00 KDM4E (1.00) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL31324803 0.90 KDM4E (0.81) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL5666716 0.90 KDM4E (0.81) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23625923 0.89 KDM4E (0.79) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL30952930 0.89 KDM4E (0.79) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL30952885 0.89 KDM4E (0.79) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL30041634 0.85 KDM4E (0.73) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL24961374 0.85 KDM4E (0.73) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL24824152 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL24823394 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MAPTSMN1; SMN2L3MBTL1

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
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
WO-2023165438-A1 TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-07 WO disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors MOLECULAR SKIN THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 US disclosed
US-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-28 US disclosed
WO-2009151561-A2 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-17 WO disclosed
WO-2008036139-A2 INHIBITORS OF MSHC AND HOMOLOGS THEREOF, AND METHODS OF IDENTIFYING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-27 WO 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 (5 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-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same ICMT, TST, OGA KDM4E 3951/4885ALDH1A1 1325/4885MAPT 2336/4885
US-20120046282-A1 METHODS AND COMPOUNDS FOR ANTIMICROBIAL INTERVENTION FDFT1, COASY, KAT5 KDM4E 1419/4885ALDH1A1 4179/4885MAPT 3404/4885
US-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 KDM4E 377/4885ALDH1A1 1224/4885MAPT 2106/4885
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 KDM4E 377/4885ALDH1A1 1224/4885MAPT 2106/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 KDM4E 377/4885ALDH1A1 1224/4885MAPT 2106/4885

“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.