SCHEMBL19782992

SCHEMBL19782992

CCOC(=O)c1sc(Nc2ncccn2)nc1-c1ncccc1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.56
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GSTO1 P78417 1/20 0.47

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
SCHEMBL19782985 0.93 DHODH (0.51) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19782993 0.92 DHODH (0.47) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL29601738 0.85 DHODH (0.50) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL27039803 0.85 DHODH (0.50) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19783118 0.84 DHODH (0.48) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL15993345 0.84 DHODH (0.58) DHODHMAPTMEN1KMT2ACYP1A2
SCHEMBL15993447 0.82 DHODH (0.54) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL15993448 0.81 DHODH (0.53) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19783106 0.81 DHODH (0.53) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19783114 0.81 ALDH1A1 (0.65) DHODHMAPTMEN1KMT2AALDH1A1

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 329/4885MAPT 307/4885MEN1 2492/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 DHODH 329/4885MAPT 307/4885MEN1 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.