SCHEMBL19783118

SCHEMBL19783118

CCOC(=O)c1sc(NCc2ncccn2)nc1-c1ncccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
GSTO1 P78417 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42

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
SCHEMBL19782726 0.85 LMNA (0.56) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19782992 0.84 DHODH (0.56) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19783015 0.82 DHODH (0.46) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19782985 0.80 DHODH (0.51) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19783114 0.79 ALDH1A1 (0.65) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL27039803 0.79 DHODH (0.50) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL29601738 0.79 DHODH (0.50) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19782993 0.77 DHODH (0.47) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL16112445 0.72 DHODH (0.54) DHODHKMT2AMEN1CYP2C9CYP1A2
SCHEMBL19783107 0.70 ALDH1A1 (0.47) KMT2AMEN1CYP2C9CYP2C19MAPT

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 329/4885KMT2A 662/4885MEN1 2492/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 DHODH 329/4885KMT2A 662/4885MEN1 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.