SCHEMBL3645158

SCHEMBL3645158

COc1ccccc1C(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PTGS1 P23219 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRA2B P18089 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 2/20 0.45

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
SCHEMBL30550438 1.00 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL8749509 1.00 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL12665837 1.00 KMT2A (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL23200753 0.86 CA12 (0.46) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL23182201 0.85 POLB (0.47) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL25245395 0.84 IRAK4 (0.53) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL7976422 0.83 CA1 (0.47) KMT2APOLBHTTNPSR1L3MBTL1
SCHEMBL28487773 0.82 DHFR (0.46) KMT2AALDH1A1TDP1
SCHEMBL21724123 0.81 ACHE (0.44) KMT2AHTTL3MBTL1PTGS1ALDH1A1
SCHEMBL24044801 0.81 MEN1 (0.48) KMT2APTGS1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976059-B2 Isoindolin-1-on derivative, method for preparing same, and pharmaceutical composition comprising same as effective component for preventing or treating cancer KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-05-07 US disclosed
CN-112839937-B Isoindolin-1-one derivatives, preparation method and application thereof 韩国化学研究院 2023-08-22 CN disclosed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
EP-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 EP disclosed
EP-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 EP disclosed
US-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-10-28 US disclosed
US-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-10-28 US disclosed
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
EP-3838898-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER Korea Research Institute of Chemical Technology (KR) 2021-06-23 EP disclosed
CN-112839937-A Isoindolin-1-one derivative, method for preparing same, and pharmaceutical composition for preventing or treating cancer comprising same as effective component 韩国化学研究院 2021-05-25 CN disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 US disclosed
US-9156823-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2015-10-13 US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
EP-2185503-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009016087-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-6812363-B2 HEATING WITH THIONYL CHLORIDE; CREATING MATERIAL WITH NEARLY EQUAL STEREOISOMER AMOUNTS FROM WASTE ENRICHED WITH UNWANTED ISOMERS USV LIMITED (IN) 2004-11-02 US disclosed
US-20040073057-A1 Racemization of optically active 2-substituted phenyl glycine esters USV. LTD. (CORPORATION OF INDIA) (IN) 2004-04-15 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 (7 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885POLB 57/4885HTT 1294/4885
US-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER EGFR, TP53, BRCA1 KMT2A 3598/4885POLB 3187/4885HTT 2786/4885
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto SLC18A2, SLC6A2, SLC18A1 KMT2A 683/4885POLB 1862/4885HTT 295/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885POLB 57/4885HTT 1294/4885
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A KMT2A 470/4885POLB 3444/4885HTT 890/4885
US-11976059-B2 Isoindolin-1-on derivative, method for preparing same, and pharmaceutical composition comprising same as effective component for preventing or treating cancer EGFR, TP53, BRCA1 KMT2A 3598/4885POLB 3187/4885HTT 2786/4885
US-20040073057-A1 Racemization of optically active 2-substituted phenyl glycine esters GLO1, SLC6A5, SLC6A9 KMT2A 4113/4885POLB 2521/4885HTT 2994/4885

“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.