SCHEMBL6216675

SCHEMBL6216675

COC(=O)c1c(C)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 1.00
KMT2A Q03164 4/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 3/20 0.59
MITF O75030 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 2/20 0.58
ALOX5 P09917 4/20 0.57
MAPT P10636 3/20 0.56
KIF11 P52732 1/20 0.54
IDO1 P14902 1/20 0.54
PTPN1 P18031 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL31570758 1.00 NR4A2 (1.00) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL16400953 0.89 NR4A2 (0.79) NR4A2KMT2ARAB9AALDH1A1LMNA
Tert-Butyl Formate SCHEMBL27699532 0.89 NR4A2 (0.78) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL2885446 0.83 NR4A2 (0.71) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL4561758 0.83 NR4A2 (0.71) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL3275502 0.83 NR4A2 (0.71) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL15174105 0.82 NR4A2 (0.69) NR4A2KMT2ARAB9AALDH1A1LMNA
SCHEMBL5917605 0.82 NR4A2 (0.69) NR4A2KMT2ARAB9AALDH1A1MEN1
SCHEMBL10175975 0.82 NR4A2 (0.69) NR4A2KMT2AALDH1A1LMNAMEN1
SCHEMBL27854856 0.82 NR4A2 (0.69) NR4A2KMT2ARAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756785-A Preparation and application of N- (pyridine-2-yl) benzo [ b ] five-membered heterocycle-3-carboxamide structure compound 江西中医药大学 2024-03-26 CN disclosed
CN-114787143-A ZESTE enhancer homolog 2 inhibitors and uses thereof 四川海思科制药有限公司 2022-07-22 CN disclosed
WO-2021129629-A1 ZESTE ENHANCER HOMOLOGUE 2 INHIBITOR AND USE THEREOF 四川海思科制药有限公司 2021-07-01 WO disclosed
WO-2020198054-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR SUBTYPE 4 ANTAGONISTS IN THE TREATMENT OF ANEMIA COLD SPRING HARBOR LABORATORY (US) 2020-10-01 WO disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9969716-B2 Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO disclosed
EP-1276721-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHYL CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2003-01-22 EP disclosed
WO-2001081305-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHY CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO 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 (2 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885KMT2A 3845/4885RAB9A 2855/4885
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 NR4A2 2712/4885KMT2A 56/4885RAB9A 2655/4885

“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.