SCHEMBL2500373

SCHEMBL2500373

C1=COc2ccccc2[N]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 3/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL692060 0.68 TRPA1 (0.41) TRPA1CYP1A2CYP2D6
SCHEMBL32690528 0.67 LMNA (0.31) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL30334802 0.67 LMNA (0.43) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL121647 0.67 LMNA (0.43) LMNACRHBPCRHR2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11520836 0.64 LMNA (0.41) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL5782656 0.64 MAOA (0.38) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL29800306 0.64 TRPA1 (0.41) TRPA1
SCHEMBL244607 0.64 TRPA1 (0.41) TRPA1
SCHEMBL9804071 0.63 HSD17B10 (0.39) CYP1A2KDM4ENPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL8480734 0.62 TRPA1 (0.39) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US claimed
WO-2018174839-A1 CYSTEINE, N-ACETYLCYSTEINE AND PENICILLAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 WO disclosed
WO-2018174838-A1 CYSTEAMINE PRODRUGS, RELATED ANALOGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2018-09-27 WO disclosed
US-9963428-B1 Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-05-08 US disclosed
US-9925191-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-03-27 US disclosed
US-9701656-B2 Tiopronin prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-07-11 US disclosed
US-20170129867-A1 TIOPRONIN PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 US disclosed
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-8993565-B2 (6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives, preparation thereof and pharmaceutical use thereof as AKT(PKB) phosphorylation inhibitors SANOFI (FR) 2015-03-31 US disclosed
US-20140303156-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2014-10-09 US disclosed
US-8791255-B2 (6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives, preparation thereof and pharmaceutical use thereof as AKT(PKB) phosphorylation inhibitors SANOFI (FR) 2014-07-29 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-20120270867-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-10-25 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 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-20120270867-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS AKT1, AKT2, MTOR TRPA1 3579/4885CYP1A2 2288/4885CYP2D6 561/4885
US-20170129867-A1 TIOPRONIN PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE TPMT, UTRN, CYP2C19 TRPA1 1762/4885CYP1A2 77/4885CYP2D6 32/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR TRPA1 2090/4885CYP1A2 1333/4885CYP2D6 1186/4885
US-20140303156-A1 NOVEL (6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)AMIDE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS AKT1, AKT2, MTOR TRPA1 3579/4885CYP1A2 2288/4885CYP2D6 561/4885
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DDX5, SAMHD1, EIF2AK2 TRPA1 4684/4885CYP1A2 3015/4885CYP2D6 1031/4885

“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.