SCHEMBL491234

SCHEMBL491234

O=Cc1csc(C2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
BAZ2A Q9UIF9 3/20 0.43
AOC3 Q16853 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
HTR2B P41595 1/20 0.34
PLG P00747 3/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
THRB P10828 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
Hydrochloric Acid SCHEMBL29756 0.98 HPGDS (0.43) HPGDSBAZ2AAOC3MEN1KMT2A
Hydrochloric Acid SCHEMBL15717196 0.98 HPGDS (0.43) HPGDSBAZ2AAOC3MEN1KMT2A
SCHEMBL23378641 0.94 HPGDS (0.40) HPGDSBAZ2AAOC3MEN1KMT2A
Trifluoroacetic Acid SCHEMBL18978992 0.88 AOC3 (0.42) HPGDSBAZ2AAOC3MEN1KMT2A
SCHEMBL1064089 0.88 HTR2B (0.39) HPGDSBAZ2AHTR2BMAPTSLC6A3
SCHEMBL3687239 0.83 HPGDS (0.44) HPGDSBAZ2AAOC3MEN1KMT2A
SCHEMBL3555706 0.81 HTR2B (0.35) HTR2BMAPTSLC6A3
SCHEMBL3572530 0.79 HTR2B (0.33) HTR2BMAPTSLC6A3
SCHEMBL15746407 0.78 PLG (0.36) BAZ2AHTR2BPLGMAPT
SCHEMBL15747122 0.78 HTR2B (0.33) HTR2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP claimed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO claimed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO claimed
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound GOWAN COMPANY, L.L.C. (US) 2022-03-15 US disclosed
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2020-12-24 US disclosed
EP-3679035-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI Industries Ltd. (IN) 2020-07-15 EP disclosed
WO-2019048989-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2019-03-14 WO disclosed
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP disclosed
WO-2018193387-A1 HETEROCYCLIC COMPOUNDS WITH MICROBIOCIDAL PROPERTIES PI INDUSTRIES LTD. (IN) 2018-10-25 WO disclosed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US disclosed
CN-101888843-A Fungicidal azacyclic amides DU PONT 2010-11-17 CN disclosed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 (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-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 HPGDS 32/4885BAZ2A 4597/4885AOC3 3787/4885
US-20200399263-A1 PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND ADH1A, ADH1C, CYP2E1 HPGDS 2179/4885BAZ2A 1038/4885AOC3 144/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 HPGDS 4553/4885BAZ2A 745/4885AOC3 1357/4885
US-11274076-B2 Process for preparing 1, 2-benzenedimethanol compound ADH1A, ADH1C, CYP2E1 HPGDS 2179/4885BAZ2A 1038/4885AOC3 144/4885

“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.