SCHEMBL4219649

SCHEMBL4219649

O=C1CSc2cc(Cl)ccc2N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
MAOA P21397 9/20 0.64
EPHX2 P34913 1/20 0.64
AHR P35869 2/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
SLC8B1 Q6J4K2 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL7454625 0.87 HTT (0.59) MAOBMAOAEPHX2AHRMAPT
SCHEMBL25904133 0.86 CYP11B1 (0.59) MAOBMAOAEPHX2AHRMAPT
SCHEMBL18307137 0.78 MAOB (0.64) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL279937 0.78 EPHX2 (1.00) MAOBMAOAEPHX2HPGDCYP11B1
SCHEMBL7449747 0.78 ALDH1A1 (0.59) MAOBMAOAEPHX2AHRMAPT
SCHEMBL31469916 0.78 MAOB (0.64) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL299571 0.78 MAOB (0.64) MAOBMAOAEPHX2AHRCYP11B1
SCHEMBL6015836 0.78 MAOB (1.00) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL5751107 0.78 MAOB (0.64) MAOBMAOAEPHX2CYP11B1CYP11B2
SCHEMBL3599640 0.78 MAOB (0.64) MAOBMAOAEPHX2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US disclosed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP disclosed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO disclosed
WO-2007134169-A2 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, LLC (US) 2007-11-22 WO disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
WO-2006050054-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO disclosed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US disclosed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 WO disclosed
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 EP disclosed
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP disclosed
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 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 (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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 MAOB 1875/4885MAOA 2171/4885EPHX2 3591/4885
US-20080269204-A1 Compounds and Methods of Use Thereof TNF, LITAF, TNFRSF1A MAOB 901/4885MAOA 1142/4885EPHX2 769/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 MAOB 333/4885MAOA 362/4885EPHX2 2438/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 MAOB 2851/4885MAOA 3533/4885EPHX2 3294/4885

“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.