SCHEMBL1361002

SCHEMBL1361002

COc1cc(F)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NFE2L2 Q16236 4/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL31260890 1.00 KDM4E (0.42) KDM4ENFE2L2ACHEBACE1CA12
SCHEMBL5019590 0.82 NFE2L2 (0.46) KDM4ENFE2L2ACHEBACE1CA12
SCHEMBL166380 0.78 NFE2L2 (0.61) KDM4ENFE2L2ACHECA12CA1
SCHEMBL18472613 0.78 NFE2L2 (0.61) KDM4ENFE2L2ACHECA12CA1
SCHEMBL24313718 0.77 L3MBTL1 (0.44) KDM4ECYP1A2CYP2C19MEN1MAPT
SCHEMBL29469827 0.77 L3MBTL1 (0.44) KDM4ECYP1A2CYP2C19MEN1MAPT
SCHEMBL24017203 0.77 APP (0.43) CA12CA1CA2CA4CA7
SCHEMBL197234 0.76 APP (0.38) ACHECA12CA1CA2CA4
SCHEMBL29362946 0.76 MEN1 (0.46) KDM4ENFE2L2CA12CA1CA2
SCHEMBL4307124 0.76 ALDH1A1 (0.54) KDM4EPDGFRBPDGFRACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
WO-2023020209-A1 UREA COMPOUND CONTAINING 2-HETEROAROMATIC RING SUBSTITUTION, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-02-23 WO disclosed
US-20220087996-A1 Histone acetylase p300 inhibitor and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-03-24 US disclosed
EP-3865475-A1 PROCESS FOR PREPARING PYRIDONE AMIDES WHICH ARE MODULATORS OF SODIUM CHANNELS AND INTERMEDIATE COMPOUNDS USED THEREIN Vertex Pharmaceuticals Incorporated (US) 2021-08-18 EP disclosed
WO-2021047622-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-18 WO disclosed
US-20200339544-A1 Epidermal growth factor receptor inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2020-10-29 US disclosed
US-20200339544-A1 Epidermal growth factor receptor inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2020-10-29 US disclosed
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
EP-3693365-A1 EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS Joint Stock Company "Biocad" (RU) 2020-08-12 EP disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
WO-2011112662-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2011-09-15 WO disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KDM4E 773/4885NFE2L2 2196/4885ACHE 3781/4885
US-20200339544-A1 Epidermal growth factor receptor inhibitors EGFR, ERBB2, ERBB3 KDM4E 4716/4885NFE2L2 1202/4885ACHE 4651/4885
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 KDM4E 1851/4885NFE2L2 105/4885ACHE 4501/4885
US-20220087996-A1 Histone acetylase p300 inhibitor and use thereof EP300, HDAC1, HDAC11 KDM4E 246/4885NFE2L2 2211/4885ACHE 1958/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KDM4E 773/4885NFE2L2 2196/4885ACHE 3781/4885

“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.