SCHEMBL838637

SCHEMBL838637

CC(C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 2/20 0.44
MAPT P10636 2/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4D Q08499 1/20 0.44
CXCL8 P10145 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL29858584 1.00 LMNA (0.55) LMNATP53HTTMEN1KMT2A
SCHEMBL15641246 1.00 LMNA (0.55) LMNATP53HTTMEN1KMT2A
SCHEMBL13235897 0.89 LMNA (0.55) LMNATP53HTTMEN1KMT2A
SCHEMBL27671813 0.86 LMNA (0.57) LMNATP53HTTMEN1KMT2A
SCHEMBL2110334 0.85 TP53 (0.47) LMNATP53HTTMEN1KMT2A
SCHEMBL31276823 0.85 TP53 (0.47) LMNATP53HTTMEN1KMT2A
SCHEMBL7820665 0.83 LMNA (0.58) LMNATP53HTTMEN1KMT2A
SCHEMBL10745903 0.83 TSHR (0.54) LMNATP53HTTMEN1KMT2A
SCHEMBL10745986 0.83 CXCL8 (0.43) LMNAMEN1KMT2APTGS2PTGS1
SCHEMBL27697380 0.83 PTGS2 (0.45) LMNATP53HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN disclosed
WO-2018140339-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2018-08-02 WO disclosed
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
US-9688680-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2017-06-27 US disclosed
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP disclosed
WO-2016022569-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2016-02-11 WO disclosed
WO-2016022569-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2016-02-11 WO disclosed
US-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2016-02-04 US disclosed
US-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2016-02-04 US disclosed
WO-1996040656-A1 NOVEL N-(2,4-DIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-3YL)-3-AMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed
WO-1996040653-A1 NOVEL N-(1-ALKYL-5-PHENYL-2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-3-YL)-ACETAMIDES MERCK & CO., INC. (US) 1996-12-19 WO disclosed
EP-0730581-A1 3-ACYLAMINOBENZAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
WO-1995014671-A1 3-ACYLAMINOBENZAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed
US-5047518-A 1,6-anhydro-β-hexopyranose derivatives and their use as herbicides and plant growth regulators HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND (NZ) 1991-09-10 US disclosed
EP-0302599-A2 Bicyclo-octane and bicyclo-nonane derivatives, processes for their preparation and their use as herbicides HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND, DEPARTMENT OF SCIENTIFIC AND INDUSTRIAL RESEARCH, CHEMISTRY DIVISON (NZ) 1989-02-08 EP disclosed
EP-0229034-A2 Hexopyranoses and compositions for agricultural use HER MAJESTY THE QUEEN in right of New Zealand Department of Scientific and Industrial Research (NZ) 1987-07-15 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 (1 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-20160031892-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, APC, CKMT1A; CKMT1B LMNA 429/4885TP53 541/4885HTT 2340/4885

“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.