SCHEMBL2409405

SCHEMBL2409405

Cc1ccccc1-n1sc2cc(F)ccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPI P34949 12/20 1.00
G6PD P11413 5/20 1.00
APOBEC3G Q9HC16 2/20 1.00
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
LMNA P02545 1/20 1.00
MAPT P10636 1/20 1.00
PKM P14618 1/20 1.00
HTT P42858 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HDAC8 Q9BY41 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
PHOSPHO1 Q8TCT1 11/20 0.80
PMM2 O15305 7/20 0.80
KAT2B Q92831 1/20 0.62
MIF P14174 4/20 0.56

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
SCHEMBL29414630 1.00 MPI (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL12230504 0.89 MPI (0.80) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL12230503 0.85 MPI (0.78) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL25293413 0.84 MPI (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL29394760 0.84 MPI (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL12230488 0.84 MPI (0.73) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL8372604 0.82 MPI (0.72) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL8371744 0.79 MPI (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL2757850 0.77 KAT2B (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1
SCHEMBL12230486 0.74 MPI (1.00) MPIG6PDAPOBEC3GKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968436-B2 NADPH oxidase proteins UNIV GRENOBLE ALPES (FR) 2021-04-06 US disclosed
US-20200181583-A1 NADPH Oxidase Proteins UNIV GRENOBLE ALPES (FR) 2020-06-11 US disclosed
US-20170088826-A1 NADPH Oxidase Proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-03-30 US disclosed
US-20170088826-A1 NADPH Oxidase Proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-03-30 US disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 US disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 US disclosed
US-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-10-20 US disclosed
WO-2011116355-A2 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO disclosed
WO-2011116355-A2 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 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 (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-20110257233-A1 BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE MPI, PMM2, GPI MPI 1/4885G6PD 13/4885APOBEC3G 2598/4885

“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.