SCHEMBL19783107

SCHEMBL19783107

CCOC(=O)Cc1sc(NCc2ncccn2)nc1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 4/20 0.40
USP2 O75604 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 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
SCHEMBL19783019 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EAPOBEC3GHSD17B10HPGD
SCHEMBL19783021 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EAPOBEC3GHSD17B10HPGD
SCHEMBL19782726 0.83 LMNA (0.56) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL19782715 0.81 ADORA2A (0.40) ALDH1A1KDM4EAPOBEC3GHSD17B10HPGD
SCHEMBL21221232 0.81 NPC1 (0.47) ALDH1A1KDM4EAPOBEC3GHSD17B10HPGD
SCHEMBL19783018 0.78 ADAMTS5 (0.50) ALDH1A1KDM4EAPOBEC3GHPGDGFER
SCHEMBL19782983 0.75 MAPT (0.45) ALDH1A1KDM4EAPOBEC3GHSD17B10HPGD
SCHEMBL19783020 0.75 ADAMTS5 (0.36) ALDH1A1KDM4EAPOBEC3GHSD17B10HTT
SCHEMBL19783015 0.72 DHODH (0.46) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL29044453 0.70 LMNA (0.57) ALDH1A1KDM4EHPGDHTTLMNA

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 ALDH1A1 571/4885KDM4E 1505/4885APOBEC3G 626/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 ALDH1A1 571/4885KDM4E 1505/4885APOBEC3G 626/4885

“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.