Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042563

SCHEMBL4042563

SCHEMBL4042563

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)C1CCC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 7/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ PI4KB Q9UBF8 4/20 0.38
▸ TP53 P04637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PIK3CG P48736 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL4046327 0.98 NPC1 (0.39) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3948651 0.95 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL2143829 0.86 MAPT (0.42) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL2143880 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL2143873 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL2143799 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL2143793 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL2143795 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL4512392 0.82 MAPT (0.40) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL2143750 0.81 LMNA (0.39) ALDH1A1MAPTLMNAGAAHPGD

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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 — — US disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 — — US disclosed
US-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE GRAUERT MATTHIAS 2009-04-09 — — US disclosed
EP-2018387-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 — — EP disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 — — WO disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 — — WO disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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-20090093474-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 ALDH1A1 162/4885MAPT 37/4885LMNA 3583/4885
US-20070238718-A1 THIAZOLYL-DIHYDRO-INDAZOLE CYP3A43, CYP3A5, UGT1A3 ALDH1A1 162/4885MAPT 37/4885LMNA 3583/4885

“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.