SCHEMBL4993591

SCHEMBL4993591

CN(C)C(=O)[C@@H]1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
TSHR P16473 6/20 0.50
LMNA P02545 4/20 0.50
HSD17B10 Q99714 1/20 0.50
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
UCHL1 P09936 3/20 0.41
USP30 Q70CQ3 3/20 0.40
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
CPB1 P15086 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL3977411 1.00 SMN1; SMN2 (0.54) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL18589275 0.93 SMN1; SMN2 (0.53) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL5001488 0.91 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4998654 0.91 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4996639 0.91 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3976621 0.91 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
Hydrochloric Acid SCHEMBL5001481 0.91 TSHR (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4995110 0.91 TSHR (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
Hydrochloric Acid SCHEMBL5001480 0.91 TSHR (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3982943 0.91 TSHR (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 SMN1; SMN2 4150/4885TSHR 3042/4885LMNA 4072/4885

“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.