SCHEMBL178531

SCHEMBL178531

CNC(C)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.59
▸ MMP9 P14780 1/20 0.56
▸ CYP2D6 P10635 7/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SLC6A2 P23975 9/20 0.47
▸ SLC6A4 P31645 9/20 0.47
▸ SLC6A3 Q01959 9/20 0.47
▸ KCNH2 Q12809 8/20 0.47
▸ CYP3A4 P08684 6/20 0.47

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
SCHEMBL1320202 1.00 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL13804034 1.00 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL12871846 0.85 UGT2B7 (0.61) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL28276305 0.83 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL19286311 0.83 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL23742881 0.82 UGT2B7 (0.62) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL15979349 0.82 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL19712487 0.82 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL30128757 0.82 MMP9 (0.63) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL2668985 0.82 CYP1A2 (0.52) UGT2B7MMP9CYP2D6MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535594-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-12-27 — — US disclosed
US-20210107875-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-04-15 — — US disclosed
CN-107709309-B Process for producing fluorine-containing cyclopropanecarboxylic acid 中央硝子株式会社 2020-10-09 — — CN disclosed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 — — EP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 — — US disclosed
EP-2010168-B1 HISTONE DEACETYLASE INHIBITORS HARVARD COLLEGE (US) 2014-04-16 — — EP disclosed
US-8629156-B2 Tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2014-01-14 — — US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 — — US disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 — — US disclosed
US-8410121-B2 Methods of treating pulmonary hypertension LEXICON PHARMACEUTICALS, INC. (US) 2013-04-02 — — US disclosed
US-20100280054-A1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE TERSERA THERAPEUTICS LLC 2010-11-04 — — US disclosed
US-7723345-B2 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-05-25 — — US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 — — US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 — — US disclosed
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 — — US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 — — US disclosed
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. 2009-01-01 — — US disclosed
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2009-01-01 — — US disclosed
WO-2008091349-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-07-31 — — WO disclosed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 — — 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 (11 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-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 UGT2B7 1030/4885MMP9 1245/4885CYP2D6 305/4885
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS UGT2B7 1467/4885MMP9 1194/4885CYP2D6 446/4885
US-20100280054-A1 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE AADAT, HNMT, TPH1 UGT2B7 321/4885MMP9 2687/4885CYP2D6 165/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 UGT2B7 321/4885MMP9 2687/4885CYP2D6 165/4885
US-11535594-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 UGT2B7 1926/4885MMP9 1684/4885CYP2D6 417/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 UGT2B7 2190/4885MMP9 111/4885CYP2D6 217/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 UGT2B7 1333/4885MMP9 3632/4885CYP2D6 721/4885
US-20090005381-A1 METHODS OF TREATING SEROTONIN-MEDIATED DISEASES AND DISORDERS TPH1, TPH2, HNMT UGT2B7 886/4885MMP9 2062/4885CYP2D6 429/4885
US-20210107875-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES PRF1, CASP1, FPR1 UGT2B7 1926/4885MMP9 1684/4885CYP2D6 417/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT UGT2B7 253/4885MMP9 1006/4885CYP2D6 126/4885
US-20090005382-A1 METHODS OF USING AND COMPOSITIONS COMPRISING TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, MAOB UGT2B7 154/4885MMP9 1336/4885CYP2D6 47/4885

“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.

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