SCHEMBL19783018

SCHEMBL19783018

O=C(O)CCc1sc(NCc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP14 P50281 1/20 0.50
ADAMTS13 Q76LX8 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 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
SCHEMBL19783019 0.85 ALDH1A1 (0.42) ADAMTS5ADAMTS4MMP14ADAMTS13ALDH1A1
SCHEMBL19782984 0.84 ADAMTS5 (0.52) ADAMTS5ADAMTS4MMP14ADAMTS13PTGDR2
SCHEMBL19783020 0.83 ADAMTS5 (0.36) ADAMTS5ADAMTS4MMP14ADAMTS13PTGDR2
SCHEMBL19783107 0.78 ALDH1A1 (0.47) PTGDR2ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL19782715 0.76 ADORA2A (0.40) ALDH1A1HPGDADORA2AADORA1MAPT
SCHEMBL19782726 0.73 LMNA (0.56) ALDH1A1HPGDADORA2AADORA1MAPT
SCHEMBL19782983 0.70 MAPT (0.45) ADAMTS5ADAMTS4MMP14ADAMTS13ALDH1A1
SCHEMBL1017978 0.67 KMT2A (0.51) PTGDR2ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL23965805 0.66 NPC1 (0.60) ALDH1A1HPGDADORA1MAPTGAA
SCHEMBL19782991 0.66 MAPT (0.60) ALDH1A1MAPTL3MBTL1SMN1; SMN2RAB9A

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.