SCHEMBL7828065

SCHEMBL7828065

COC(=O)c1cccc(-n2cccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.61
TP53 P04637 1/20 0.57
L3MBTL1 Q9Y468 5/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 2/20 0.51
PMM2 O15305 1/20 0.51
MPI P34949 1/20 0.51
PHOSPHO1 Q8TCT1 1/20 0.51
CASP6 P55212 3/20 0.50
MCL1 Q07820 2/20 0.50
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
NPC1 O15118 1/20 0.50
DNMT1 P26358 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
SCHEMBL7828377 0.84 CA12 (0.48) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL2357788 0.84 CA12 (0.48) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL5868847 0.83 TP53 (0.67) TP53L3MBTL1GAAALDH1A1HPGD
SCHEMBL27382417 0.83 TP53 (0.51) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL27383697 0.83 TP53 (0.51) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL7830321 0.82 SMN1; SMN2 (0.56) AOC2ALDH1A1CYP4F2CYP4A11LMNA
SCHEMBL18979346 0.82 TP53 (0.50) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL27403228 0.82 TP53 (0.50) TP53L3MBTL1GAAALDH1A1HPGD
SCHEMBL27400146 0.82 TP53 (0.50) AOC2TP53L3MBTL1GAAALDH1A1
SCHEMBL27383013 0.82 TP53 (0.50) TP53GAAALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685713-B2 Small molecule SHC blockers used for treating liver disease and metabolic disease BUTO CORPORATION (US) 2023-06-27 US disclosed
US-11685713-B2 Small molecule SHC blockers used for treating liver disease and metabolic disease BUTO CORPORATION (US) 2023-06-27 US disclosed
US-20230002317-A1 NOVEL SMALL MOLECULE SHC BLOCKERS USED FOR TREATING LIVER DISEASE AND METABOLIC DISEASE BUTO CORPORATION 2023-01-05 US disclosed
US-9758485-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-12 US disclosed
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-10-13 US disclosed
US-20160278379-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS ELANCO ANIMAL HEALTH GMBH (DE) 2016-09-29 US disclosed
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (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-11685713-B2 Small molecule SHC blockers used for treating liver disease and metabolic disease SHC1, GPR119, GYS2 AOC2 4469/4885TP53 2758/4885L3MBTL1 3672/4885
US-20230002317-A1 NOVEL SMALL MOLECULE SHC BLOCKERS USED FOR TREATING LIVER DISEASE AND METABOLIC DISEASE GPR119, SHC1, GLS2 AOC2 4279/4885TP53 3081/4885L3MBTL1 3463/4885
US-20160278379-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS CYP4X1, CYP4B1, SERPINB6 AOC2 333/4885TP53 4832/4885L3MBTL1 204/4885
US-20160297765-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS CYP4X1, CYP4B1, SERPINB6 AOC2 333/4885TP53 4832/4885L3MBTL1 204/4885

“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.