SCHEMBL1800878

SCHEMBL1800878

Nc1nc(-c2cc(Cl)ccc2Cl)cs1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ PKM P14618 1/20 0.52
▸ HTR2B P41595 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.50
▸ RORC P51449 3/20 0.49
▸ TYR P14679 1/20 0.49
▸ AGPAT2 O15120 1/20 0.48
▸ MPL P40238 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ PTPN1 P18031 1/20 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
SCHEMBL29654042 0.92 KDM4E (0.57) ALDH1A1KDM4EPKMHTR2BPDE4D
SCHEMBL129994 0.86 AMY1A (0.61) ALDH1A1KDM4ELTA4HAMY1ATYR
SCHEMBL29519297 0.86 AMY1A (0.61) ALDH1A1KDM4ELTA4HAMY1ATYR
SCHEMBL1802577 0.84 MPL (0.65) ALDH1A1KDM4ELTA4HAMY1ATYR
Bromide SCHEMBL8355183 0.84 AMY1A (0.59) ALDH1A1KDM4ELTA4HAMY1ATYR
SCHEMBL3277693 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ELTA4HAMY1ATYR
SCHEMBL14814817 0.80 PKM (0.61) ALDH1A1KDM4EPKMAMY1ARORC
SCHEMBL1801511 0.79 MPL (0.63) ALDH1A1KDM4ELTA4HAMY1ATYR
SCHEMBL1803094 0.79 MPL (0.71) ALDH1A1KDM4ELTA4HTYRMPL
SCHEMBL1915457 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ELTA4HAGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116296-A1 ANTI-RNA VIRUS DRUG AND APPLICATION THEREOF East China University of Science and Technology (CN) 2023-01-11 — — EP disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 — — US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 — — EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 — — WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 — — WO disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 — — US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 — — US disclosed
US-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 — — US disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 — — WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 — — WO disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 — — WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 — — US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 — — US disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 — — 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 (2 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885KDM4E 3636/4885PKM 113/4885
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ALDH1A1 871/4885KDM4E 4660/4885PKM 2501/4885

“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.

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