SCHEMBL331978

SCHEMBL331978

O=C1NN[CH]c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
CASP3 P42574 3/20 0.37
CASP7 P55210 2/20 0.37
CASP6 P55212 2/20 0.37
CASP8 Q14790 2/20 0.37
CASP2 P42575 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CDC25B P30305 3/20 0.36
KDM4E B2RXH2 5/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 4/20 0.35
MAOA P21397 3/20 0.35
BCHE P06276 3/20 0.35
ALOX15 P16050 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PTPRC P08575 2/20 0.35
THRB P10828 2/20 0.35
CES1 P23141 2/20 0.35

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
SCHEMBL19471848 0.76 GSK3B (0.46) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29651311 0.64 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL7771670 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29366030 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL11040503 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL10192661 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL30125197 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL64 0.61 GSK3B (1.00) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL14259805 0.60 L3MBTL1 (0.48) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL1205294 0.59 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US claimed
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
US-7880042-B2 antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 US disclosed
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 US disclosed
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents BAYER SCHERING PHARMA AG (DE) 2007-09-27 US disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-20070015761-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2007-01-18 US disclosed
US-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAEURLE STEFAN 2007-01-18 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 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 (10 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 GSK3B 409/4885CASP3 3620/4885CASP7 2298/4885
US-20070015761-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES GSK3B 2854/4885CASP3 1034/4885CASP7 1220/4885
US-20070015750-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES GSK3B 2854/4885CASP3 1034/4885CASP7 1220/4885
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B GSK3B 3151/4885CASP3 479/4885CASP7 652/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B GSK3B 3151/4885CASP3 479/4885CASP7 652/4885
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO GSK3B 2371/4885CASP3 245/4885CASP7 444/4885
US-20070129359-A1 Tetrahydronaphthalene derivatives, processes for their preparation and their use as antiinflammatory agents TNF, IL1B, PTGS1 GSK3B 3825/4885CASP3 456/4885CASP7 554/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B GSK3B 3151/4885CASP3 479/4885CASP7 652/4885
US-20070225290-A1 Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents TNF, IL1B, DHPS GSK3B 4333/4885CASP3 980/4885CASP7 946/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS GSK3B 4303/4885CASP3 950/4885CASP7 911/4885

“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.