SCHEMBL668237

SCHEMBL668237

COC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.62
TSHR P16473 3/20 0.61
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.60
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL29882235 0.95 KDM4E (0.69) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
Methyl 3,4-Methylenedioxybenzoate SCHEMBL133049 0.89 NPC1 (0.73) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL14886743 0.87 GSK3A (0.58) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL8704332 0.82 RAB9A (0.78) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3490016 0.81 PRKCI (0.57) KDM4ESMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL31417661 0.81 PRKCI (0.57) KDM4ESMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL3636916 0.81 KCNH2 (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL1464834 0.81 MAPK1 (0.69) KDM4ESMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL650684 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13516975 0.80 MEN1 (0.83) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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 51 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-115141188-B Substituted quinazoline compound, pharmaceutical composition and application thereof 江南大学 2024-08-23 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
US-11814370-B2 Deuterated N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-fluorophenyl)-2-((4-ethylpiperazin-1-yl)methyl)quinoline-6-carboxamide CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-14 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-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
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 WO disclosed
EP-0149884-B1 5-PYRIDYL-1,3-THIAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-16 EP disclosed
US-4612321-A 5-pyridyl-1,3-thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1986-09-16 US disclosed
EP-0149884-A2 5-Pyridyl-1,3-thiazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-07-31 EP 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 (4 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-12281123-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 KDM4E 377/4885SMN1; SMN2 4540/4885ALDH1A1 1224/4885
US-11643420-B2 Benzoxazinone compounds as KLK5/7 dual inhibitors KLK5, KLK1, KLK2 KDM4E 377/4885SMN1; SMN2 4540/4885ALDH1A1 1224/4885
US-20240067658-A1 BENZOXAZINONE COMPOUNDS AS KLK5/7 DUAL INHIBITORS KLK5, KLK1, KLK2 KDM4E 377/4885SMN1; SMN2 4540/4885ALDH1A1 1224/4885
US-11814370-B2 Deuterated N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-fluorophenyl)-2-((4-ethylpiperazin-1-yl)methyl)quinoline-6-carboxamide HTR5A, HTR2C, HTR6 KDM4E 884/4885SMN1; SMN2 1222/4885ALDH1A1 1188/4885

“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.