SCHEMBL19783003

SCHEMBL19783003

CC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
DHODH Q02127 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCR6 P51684 1/20 0.40
MAPK10 P53779 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL15993076 0.88 NPC1 (0.48) ADORA3DHODHALDH1A1LMNAMAPK10
SCHEMBL19782390 0.88 DHODH (0.36) DHODHALDH1A1LMNAMAPK10RXFP1
SCHEMBL19782384 0.87 ALDH1A1 (0.38) DHODHALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL19782389 0.86 DHODH (0.38) ADORA3DHODHALDH1A1LMNAMAPK10
SCHEMBL15993345 0.84 DHODH (0.58) DHODHLMNAKMT2AMEN1NPC1
SCHEMBL15999193 0.83 ALDH1A1 (0.53) DHODHALDH1A1LMNAL3MBTL1MAPK10
SCHEMBL15993544 0.82 KDM4E (0.49) ADORA3ALDH1A1LMNAMAPK10RXFP1
SCHEMBL15993702 0.81 KDM4E (0.56) ADORA3ALDH1A1LMNAL3MBTL1MAPK10
SCHEMBL15993453 0.81 ADORA2B (0.43) ALDH1A1LMNAMAPK10RXFP1KDM4E
Hydrochloric Acid SCHEMBL15993639 0.80 KDM4E (0.55) ADORA3ALDH1A1LMNAL3MBTL1MAPK10

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 ADORA3 3568/4885DHODH 329/4885ALDH1A1 571/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ADORA3 3568/4885DHODH 329/4885ALDH1A1 571/4885

“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.