SCHEMBL19782984

SCHEMBL19782984

O=C(O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP14 P50281 1/20 0.52
ADAMTS13 Q76LX8 1/20 0.52
MAPT P10636 9/20 0.47
GAA P10253 6/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GFER P55789 1/20 0.40
KDR P35968 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL19782983 0.85 MAPT (0.45) ADAMTS5ADAMTS4MMP14ADAMTS13MAPT
SCHEMBL19783018 0.84 ADAMTS5 (0.50) ADAMTS5ADAMTS4MMP14ADAMTS13MAPT
SCHEMBL15993073 0.82 KDR (0.41) MAPTGAAPTGDR2SMN1; SMN2ADORA2A
SCHEMBL15993383 0.80 HSD17B10 (0.42) MAPTSMN1; SMN2ADORA2AADORA1ALDH1A1
SCHEMBL15993497 0.80 NPC1 (0.39) MAPTGAASMN1; SMN2ADORA2AADORA1
SCHEMBL15993539 0.79 ALDH1A1 (0.41) MAPTGAAPTGDR2SMN1; SMN2ADORA2A
SCHEMBL15993544 0.79 KDM4E (0.49) MAPTGAASMN1; SMN2ADORA2AADORA1
SCHEMBL15993450 0.79 NPC1 (0.39) MAPTGAASMN1; SMN2ADORA2AADORA1
SCHEMBL15993205 0.78 ALDH1A1 (0.41) MAPTGAASMN1; SMN2ADORA2AADORA1
SCHEMBL19783021 0.77 ALDH1A1 (0.49) MAPTGAAPTGDR2SMN1; 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
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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 (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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 ADAMTS5 2507/4885ADAMTS4 2560/4885MMP14 3430/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADAMTS5 2507/4885ADAMTS4 2560/4885MMP14 3430/4885

“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.