SCHEMBL1093585

SCHEMBL1093585

Cc1sc2ccccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 2/20 0.41
PADI4 Q9UM07 1/20 0.39
ERN1 O75460 2/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL20941925 0.80 GPR3 (0.44) GPR3ALDH1A1MAPTHPGDCYP1A2
SCHEMBL21895264 0.78 GPR3 (0.43) GPR3ALDH1A1MAPTHPGDCYP1A2
SCHEMBL19225704 0.78 GPR3 (0.46) GPR3ALDH1A1CYP2A6PADI4ERN1
SCHEMBL843065 0.78 GPR3 (0.46) GPR3ALDH1A1CYP2A6PADI4ERN1
SCHEMBL686831 0.76 GPR3 (0.44) GPR3ALDH1A1CYP2A6PADI4ERN1
SCHEMBL1350034 0.76 GPR3 (0.44) GPR3ALDH1A1CYP2A6PADI4ERN1
SCHEMBL23303025 0.76 CNR2 (0.46) GPR3ALDH1A1CYP2A6PADI4CYP2D6
SCHEMBL10375309 0.76 GPR3 (0.40) GPR3ALDH1A1CYP2A6PADI4ERN1
SCHEMBL9587486 0.75 HSP90AA1 (0.44) GPR3ALDH1A1MAPTHTTNPSR1
SCHEMBL14139942 0.74 GPR3 (0.39) GPR3ALDH1A1MAPTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625227-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
EP-1560584-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2005-10-12 EP disclosed
EP-1560584-A2 FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2005-08-10 EP disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
WO-2003088897-A2 FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-10-30 WO disclosed
EP-0217530-B1 DIHYDROPYRIDINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4659717-A CAUSING VASODILATION ELI LILLY AND COMPANY (US) 1987-04-21 US disclosed
EP-0217530-A1 Dihydropyridines ELI LILLY AND COMPANY (US) 1987-04-08 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 (6 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-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 GPR3 4319/4885ALDH1A1 3714/4885CYP2A6 4442/4885
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections MAVS, SARS1, ZC3HAV1 GPR3 4319/4885ALDH1A1 3714/4885CYP2A6 4442/4885
US-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 GPR3 4756/4885ALDH1A1 2491/4885CYP2A6 1725/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 GPR3 174/4885ALDH1A1 477/4885CYP2A6 112/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 GPR3 4645/4885ALDH1A1 3962/4885CYP2A6 3038/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 GPR3 174/4885ALDH1A1 477/4885CYP2A6 112/4885

“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.