SCHEMBL2012291

SCHEMBL2012291

O=Cc1cncc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
IDO1 P14902 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ERN1 O75460 1/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CCR1 P32246 3/20 0.43
CCR8 P51685 3/20 0.43
CCR5 P51681 2/20 0.43
LMNA P02545 2/20 0.43
MMP2 P08253 2/20 0.43
TSHR P16473 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL29935831 1.00 KDM4E (0.45) KDM4EHSP90AA1NPC1RAB9AKMT2A
SCHEMBL26115261 0.81 KDM4E (0.43) KDM4EHSP90AA1NPC1RAB9AL3MBTL1
SCHEMBL194281 0.79 KDM4E (0.54) KDM4EHSP90AA1NPC1RAB9AKMT2A
SCHEMBL12505494 0.77 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL12505496 0.77 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL27822917 0.77 KDM4E (0.52) KDM4EHSP90AA1NPC1RAB9AKMT2A
Water SCHEMBL28278303 0.77 KDM4E (0.52) KDM4EHSP90AA1NPC1RAB9AKMT2A
SCHEMBL277026 0.75 KDM4E (0.48) KDM4EHSP90AA1NPC1RAB9AKMT2A
SCHEMBL29874762 0.74 EGFR (0.42) NPC1RAB9AKMT2AMEN1ERN1
SCHEMBL2009785 0.74 EGFR (0.42) NPC1RAB9AKMT2AMEN1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
US-20240182444-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-06 US disclosed
WO-2024086111-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 KDM4E 1859/4885HSP90AA1 3996/4885NPC1 4140/4885
US-20240182444-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 KDM4E 3205/4885HSP90AA1 1362/4885NPC1 34/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 KDM4E 3246/4885HSP90AA1 3906/4885NPC1 3663/4885
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 KDM4E 3294/4885HSP90AA1 1420/4885NPC1 385/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KDM4E 3021/4885HSP90AA1 4492/4885NPC1 3638/4885

“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.