SCHEMBL86279

SCHEMBL86279

O=C1c2ccccc2CSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.59
AKR1B1 P15121 1/20 0.57
MAOA P21397 1/20 0.54
MAPK14 Q16539 1/20 0.54
CES1 P23141 2/20 0.48
MIF P14174 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL31123671 1.00 ACHE (0.59) ACHEAKR1B1MAOAMAPK14CES1
SCHEMBL31510701 1.00 ACHE (0.59) ACHEAKR1B1MAOAMAPK14CES1
SCHEMBL216973 0.83 ACHE (0.56) ACHEAKR1B1ALDH1A1CHRM2ADRA2A
SCHEMBL4231216 0.81 MAPK14 (0.62) ACHEAKR1B1MAOAMAPK14CES1
SCHEMBL86333 0.81 AKR1B1 (0.46) ACHEAKR1B1MAOAMAPK14MIF
SCHEMBL86390 0.81 AKR1B1 (0.49) ACHEAKR1B1MAOAMAPK14CES1
SCHEMBL7243476 0.81 ALDH1A1 (0.54) ACHEAKR1B1MAOAMAPK14MIF
SCHEMBL11873711 0.81 ELANE (0.51) ACHEAKR1B1MAOAMAPK14MIF
SCHEMBL85994 0.81 AKR1B1 (0.49) ACHEAKR1B1MAOAMAPK14CES1
SCHEMBL86282 0.81 AKR1B1 (0.46) ACHEAKR1B1MAPK14MIFMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7109273-A None JP disclosed
EP-4692092-A1 NOVEL COMPOUNDS WITH MTORC2-INHIBITORY ACTIVITY AND USES THEREOF Aliad Biopharma (KR) 2026-02-11 EP disclosed
WO-2024205377-A1 NOVEL COMPOUNDS WITH MTORC2-INHIBITORY ACTIVITY AND USES THEREOF 알리아드바이오파마 주식회사 2024-10-03 WO disclosed
WO-2023122260-A2 INHIBITORS OF SARS-COV-2 THE TEXAS A&M UNIVERSITY SYSTEM (US) 2023-06-29 WO disclosed
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-06-24 US disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 EP disclosed
US-10702523-B2 AZA-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2020-07-07 US disclosed
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2019-10-17 US disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-4064141-A Novel esters of 6,11-dihydrodibenzo-[b.e.]-thiepin-11-one-3-alkanoic acids SYNTEX (U.S.A.) INC. (US) 1977-12-20 US disclosed
US-4055574-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1977-10-25 US disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-4000288-A ANALGESICS, ANTIINFLAMMATORY AGENTS, PYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed
US-4000288-A ANALGESICS, ANTIINFLAMMATORY AGENTS, PYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed
US-4000308-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed
US-4000308-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 US disclosed
US-3989839-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3989839-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1976-11-02 US disclosed
US-3985895-A DIURETIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-10-12 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 (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-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885AKR1B1 1902/4885MAOA 132/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ACHE 1599/4885AKR1B1 1860/4885MAOA 555/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK ACHE 178/4885AKR1B1 1902/4885MAOA 132/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK ACHE 178/4885AKR1B1 1902/4885MAOA 132/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 ACHE 1476/4885AKR1B1 1698/4885MAOA 575/4885

“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.