SCHEMBL19782389

SCHEMBL19782389

CC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.38
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
MAPK10 P53779 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 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
SCHEMBL19782392 0.88 DHODH (0.40) DHODHALDH1A1LMNARAB9AMEN1
SCHEMBL19783003 0.86 ADORA3 (0.41) DHODHALDH1A1LMNAMAPK10RXFP1
SCHEMBL19782384 0.84 ALDH1A1 (0.38) DHODHALDH1A1LMNARAB9AMEN1
SCHEMBL19782390 0.83 DHODH (0.36) DHODHALDH1A1LMNAMAPK10RXFP1
SCHEMBL19782395 0.74 CDC7 (0.40) DHODHALDH1A1KDM4EMAPT
SCHEMBL19782999 0.73 GRM4 (0.34) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL19782394 0.73 DHODH (0.38) DHODHRAB9AMEN1KMT2AHPGD
SCHEMBL15993076 0.72 NPC1 (0.48) DHODHALDH1A1LMNAMAPK10RXFP1
SCHEMBL19782992 0.69 DHODH (0.56) DHODHALDH1A1RAB9AMEN1KMT2A
SCHEMBL15993345 0.69 DHODH (0.58) DHODHLMNARAB9AMEN1KMT2A

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 329/4885ALDH1A1 571/4885LMNA 3743/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 DHODH 329/4885ALDH1A1 571/4885LMNA 3743/4885

“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.