SCHEMBL19782980

SCHEMBL19782980

CC(C)(C)OP(=O)(OCN(c1ncccn1)c1nc(-c2ccccn2)cs1)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.44
GRM1 Q13255 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 4/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL19783004 0.74 LMNA (0.34) ALDH1A1MAPTHPGDRAB9AADORA3
SCHEMBL15993550 0.72 GRIA1 (0.49) GRIA1GRM1ALDH1A1MAPTRAB9A
SCHEMBL15993429 0.72 GRIA1 (0.52) GRIA1GRM1ALDH1A1MAPTHPGD
SCHEMBL15993237 0.70 GRIA1 (0.70) GRIA1GRM1ALDH1A1MAPTHPGD
SCHEMBL7038382 0.70 GRM1 (0.56) GRIA1GRM1ALDH1A1MAPTADORA3
Bromide SCHEMBL6930880 0.69 GRM1 (0.55) GRIA1GRM1ALDH1A1MAPTADORA3
SCHEMBL15993602 0.67 GRM1 (0.56) GRIA1GRM1ALDH1A1MAPTHPGD
SCHEMBL12046108 0.64 CYP19A1 (0.56) GRIA1ALDH1A1MAPTRAB9AADORA3
Phosphoric Acid SCHEMBL31361488 0.62 FBP1 (0.59) GRM1ALDH1A1MAPTRAB9AADORA3
SCHEMBL10272523 0.61 CYP19A1 (0.61) GRIA1ALDH1A1MAPTRAB9AADORA3

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 GRIA1 2717/4885GRM1 2586/4885ALDH1A1 571/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 GRIA1 2717/4885GRM1 2586/4885ALDH1A1 571/4885

“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.