SCHEMBL6286627

SCHEMBL6286627

CNCC(O)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
KCNH2 Q12809 2/20 0.51
HIF1A Q16665 4/20 0.44
KDM4E B2RXH2 4/20 0.44
BLM P54132 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
HTR1A P08908 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THPO P40225 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NMUR2 Q9GZQ4 1/20 0.44
CYP2C9 P11712 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ADRB1 P08588 3/20 0.43
ADRA2A P08913 3/20 0.43
ADRB3 P13945 3/20 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
SCHEMBL6607482 1.00 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL22593395 0.84 NPC1 (0.45) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL14110183 0.81 SLC6A2 (0.56) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL1201347 0.81 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL98019 0.81 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL165478 0.81 SLC6A2 (0.49) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
SCHEMBL18884424 0.81 AOC3 (0.50) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
Dimethylamine SCHEMBL27876905 0.81 NPC1 (0.43) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
Dimethylamine SCHEMBL27907968 0.79 KMT2A (0.42) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6
Methylamine SCHEMBL6327312 0.79 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4CYP3A4CYP2D6

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-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-6878705-B2 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide antiviral agents PFIZER (US) 2005-04-12 US disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY 2004-12-23 US disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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 (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-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 SLC6A3 464/4885SLC6A2 896/4885SLC6A4 637/4885
US-20040259907-A1 4-OXO-4,7-DIHYDROFURO[2,3-B]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS IL4, ZC3HAV1, IRF3 SLC6A3 3291/4885SLC6A2 4331/4885SLC6A4 2199/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 SLC6A3 731/4885SLC6A2 1184/4885SLC6A4 901/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 SLC6A3 2587/4885SLC6A2 2657/4885SLC6A4 3225/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 SLC6A3 2587/4885SLC6A2 2657/4885SLC6A4 3225/4885

“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.