SCHEMBL2176719

SCHEMBL2176719

Cc1cccc2c1NC(N)S2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.33
HTR5A P47898 1/20 0.32
DAO P14920 1/20 0.32
CD44 P16070 1/20 0.30
BCHE P06276 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL28205136 0.73 DAO (0.40) MEN1ALDH1A1KMT2ACREBBPDAO
SCHEMBL6185177 0.67 IDO1 (0.57) MEN1ALDH1A1KMT2ACREBBPBCHE
SCHEMBL29636443 0.66 BCHE (0.42) MEN1ALDH1A1KMT2ACREBBPHTR5A
SCHEMBL2587087 0.66 BCHE (0.42) MEN1ALDH1A1KMT2ACREBBPHTR5A
Iodide SCHEMBL13386176 0.64 BCHE (0.41) MEN1ALDH1A1KMT2ACREBBPHTR5A
SCHEMBL8471857 0.60 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ACREBBPHTR5A
Hydrochloric Acid SCHEMBL11306271 0.60 ALDH1A1 (0.34) MEN1ALDH1A1KMT2AHTR5ADAO
SCHEMBL31331504 0.59 NOX1 (0.61) MEN1ALDH1A1KMT2ABCHECYP1A2
SCHEMBL2176289 0.59 ALOX5 (0.35) ALDH1A1KMT2ACYP1A2CYP2A6
SCHEMBL194062 0.59 NOX1 (0.61) MEN1ALDH1A1KMT2ABCHECYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973051-B2 Aminothiazoles as FBPase inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2011-07-05 US disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US 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 (1 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-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 MEN1 1402/4885ALDH1A1 525/4885KMT2A 2042/4885

“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.