SCHEMBL2972020

SCHEMBL2972020

Cc1cc(C(=O)Cl)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.45
MCL1 Q07820 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
S1PR3 Q99500 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL4352652 0.84 HTT (0.53) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL29554593 0.83 MAPT (0.52) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL312135 0.83 MAPT (0.52) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL4546533 0.83 HPGD (0.53) CYP3A4TSHRALDH1A1GAAMAPT
SCHEMBL703101 0.83 TSHR (0.65) TAS1R3TAS1R1TAS1R2CYP1A2TSHR
SCHEMBL40769 0.82 SMN1; SMN2 (0.55) TAS1R3TAS1R1ALDH1A1MAPTMEN1
SCHEMBL30475402 0.82 SMN1; SMN2 (0.55) TAS1R3TAS1R1ALDH1A1MAPTMEN1
SCHEMBL11025910 0.81 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
Hydrogen Sulfide SCHEMBL28759691 0.81 TSHR (0.63) TAS1R3TAS1R1TAS1R2CYP1A2TSHR
SCHEMBL14894712 0.81 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US disclosed
US-11464783-B2 Heterocyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2022-10-11 US disclosed
EP-3980406-A1 HETEROCYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2022-04-13 EP disclosed
US-20200397797-A1 HETEROCYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-24 US disclosed
WO-2020247504-A1 HETEROCYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2020-12-10 WO disclosed
US-8822233-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2014-09-02 US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-5466687-A Anticholesterol agents DR. KARL THOMAE GMBH (DE) 1995-11-14 US disclosed
US-5455273-A Antiacholesterol agents KARL THOMAE GMBH (DE) 1995-10-03 US disclosed
EP-0596326-B1 Arylidene-1-azacycloalkanes and arylalkyl-1-azacycloalkanes, their salts, medicaments containing the same, use thereof and precesses for their production THOMAE GMBH DR K (DE) 1995-08-23 EP disclosed
CN-1093082-A N, two substituted aryl Cycloalkyl amines of N-and salt thereof, contain the pharmaceutical composition of this compound and use with and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-05 CN disclosed
CN-1090849-A Arylidene-1-azacycloparaffin and aralkyl-1-azacycloparaffin, their salt contains medicament and the application and their preparation process of these compounds THOMAE GMBH DR K (DE) 1994-08-17 CN disclosed
EP-0599203-A1 N,N-disubstituted arylcycloacrylamines, their salts, medicines containing these compounds and their use as well as processes for their preparation Dr. Karl Thomae GmbH (DE) 1994-06-01 EP disclosed
EP-0596326-A1 Arylidene-1-azacycloalkanes and arylalkyl-1-azacycloalkanes, their salts, medicaments containing the same, use thereof and precesses for their production Dr. Karl Thomae GmbH (DE) 1994-05-11 EP disclosed
EP-0126225-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TRIALKYLSILYLOXYMALONIC-ACID DINITRILES BAYER AG (DE) 1986-11-26 EP disclosed
US-4620022-A REACTING TRIALKYLSILYL CYANIDE WITH ACID HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0126225-A1 Process for the preparation of substituted trialkylsilyloxymalonic-acid dinitriles BAYER AG (DE) 1984-11-28 EP 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-11464783-B2 Heterocyclic compounds SLC10A1, CFTR, PKD1 TAS1R3 3902/4885TAS1R1 3358/4885TAS1R2 3809/4885
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP TAS1R3 4737/4885TAS1R1 4804/4885TAS1R2 4784/4885
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B TAS1R3 4527/4885TAS1R1 4486/4885TAS1R2 4530/4885
US-20200397797-A1 HETEROCYCLIC COMPOUNDS SLC10A1, CFTR, PKD1 TAS1R3 3902/4885TAS1R1 3358/4885TAS1R2 3809/4885

“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.