SCHEMBL19782390

SCHEMBL19782390

CC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.36
NOX1 Q9Y5S8 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP3A4 P08684 3/20 0.34
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL19782394 0.90 DHODH (0.38) DHODHNOX1MEN1KMT2ARAB9A
SCHEMBL19783003 0.88 ADORA3 (0.41) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL19783106 0.85 DHODH (0.53) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL19782384 0.84 ALDH1A1 (0.38) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL19782989 0.83 DHODH (0.43) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL19782389 0.83 DHODH (0.38) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL15993076 0.76 NPC1 (0.48) DHODHKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL19782395 0.74 CDC7 (0.40) DHODHALDH1A1KDM4EMAPT
SCHEMBL19782392 0.73 DHODH (0.40) DHODHMEN1KMT2AALDH1A1RAB9A
SCHEMBL15993345 0.73 DHODH (0.58) DHODHMEN1KMT2ARAB9ANPC1

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 DHODH 329/4885NOX1 2929/4885MEN1 2492/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 DHODH 329/4885NOX1 2929/4885MEN1 2492/4885

“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.