SCHEMBL14029809

SCHEMBL14029809

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
NPC1 O15118 8/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.56
GRM1 Q13255 7/20 0.54
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL3984042 0.82 SMN1; SMN2 (0.66) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3976303 0.81 SMN1; SMN2 (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3972793 0.79 SMN1; SMN2 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3979549 0.77 SMN1; SMN2 (0.59) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL3973655 0.76 SMN1; SMN2 (0.58) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL2826602 0.76 SMN1; SMN2 (0.57) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL2827567 0.75 SMN1; SMN2 (0.56) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL2828631 0.74 SMN1; SMN2 (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL4993591 0.73 SMN1; SMN2 (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL17107110 0.73 NPC1 (0.58) RAB9ANPC1KMT2AMEN1MAPT

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 1 patent. 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 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 RAB9A 3471/4885NPC1 2067/4885KMT2A 3898/4885

“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.