SCHEMBL7713830

SCHEMBL7713830

CCOc1ncc(C=O)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 1/20 0.40
ACACB O00763 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNJ1 P48048 1/20 0.38
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
ERN1 O75460 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL23146200 0.80 TDP1 (0.38) TDP1ALDH1A1KDM4EKCNJ1MAPT
SCHEMBL4892445 0.80
SCHEMBL3765228 0.77 ALDH1A1 (0.37) TDP1ALDH1A1KDM4EKCNJ1MAPT
SCHEMBL16935016 0.77 ALDH1A1 (0.37) TDP1ALDH1A1KDM4EKCNJ1MAPT
SCHEMBL23146412 0.76 ALDH1A1 (0.42) TDP1ALDH1A1KDM4EACACBCYP2C9
SCHEMBL1620284 0.73 ACACB (0.43) TDP1ALDH1A1KDM4EACACBCYP2C9
SCHEMBL29237721 0.73 ACACB (0.37) TDP1ALDH1A1KDM4EACACBCYP2C9
SCHEMBL4538013 0.73 DUT (0.36) TDP1ALDH1A1KDM4EKCNJ1
SCHEMBL15889359 0.72
SCHEMBL14347621 0.72 CDC7 (0.42) ALDH1A1KDM4ECYP2C9MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
EP-3810595-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
CN-112334462-A OGA inhibitor compounds 詹森药业有限公司 2021-02-05 CN disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME LLC 2018-01-11 US disclosed
US-6372913-B1 REACTING HALOGENOMALONALDEHYDE WITH THIOCARBAMATE OR DITHIOCARBAMATE IN PRESENCE OF SOLVENT, WHEREIN REACTION MIXTURE COMPRISES LESS THAN 5% BY WEIGHT, BASED ON TOTAL WEIGHT OF SOLVENT, OF WATER BAYER AG (DE) 2002-04-16 US disclosed
EP-0896962-A1 Process for the preparation of 2-substituted-5-formylthiazoles BAYER AG (DE) 1999-02-17 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 (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-20180009796-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MGAT2, MGAT1, ACAT2 TDP1 3519/4885ALDH1A1 663/4885KDM4E 3767/4885
US-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN TDP1 83/4885ALDH1A1 3839/4885KDM4E 1495/4885

“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.