SCHEMBL3974624

SCHEMBL3974624

O=C(NCCO)C1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
GSTO1 P78417 5/20 0.38
UCHL1 P09936 1/20 0.37
KDM4E B2RXH2 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
USP2 O75604 2/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL5001499 1.00 TSHR (0.48) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3982943 0.93 TSHR (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4995110 0.93 TSHR (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3976621 0.91 SMN1; SMN2 (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4996639 0.91 SMN1; SMN2 (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4990977 0.89 SMN1; SMN2 (0.52) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3978005 0.89 SMN1; SMN2 (0.52) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4998654 0.89 SMN1; SMN2 (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL18589275 0.89 SMN1; SMN2 (0.53) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5001488 0.89 SMN1; SMN2 (0.51) TSHRLMNAHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057157-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Genentech, Inc. (US) 2009-05-13 EP disclosed
US-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. 2008-10-02 US disclosed
WO-2008022002-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2008-02-21 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-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK TSHR 3042/4885LMNA 4072/4885HSD17B10 1252/4885

“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.