SCHEMBL16137397

SCHEMBL16137397

CCOc1ccc(Nc2nc(-c3ccccn3)cs2)nc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.69
KCNN1 Q92952 2/20 0.64
KCNN2 Q9H2S1 2/20 0.64
KCNN3 Q9UGI6 2/20 0.64
MECP2 P51608 1/20 0.64
MBD2 Q9UBB5 1/20 0.64
NPC1 O15118 9/20 0.57
KMT2A Q03164 8/20 0.57
RAB9A P51151 8/20 0.57
MEN1 O00255 7/20 0.57
MAPT P10636 6/20 0.57
NFKB1 P19838 5/20 0.57
NFKB2 Q00653 5/20 0.57
RELA Q04206 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
PPP1CA P62136 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TP53 P04637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ALPL P05186 1/20 0.57

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
SCHEMBL24357980 0.89 GAA (0.53) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL30745716 0.89 GAA (0.53) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL29601578 0.88 SLC2A1 (0.72) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL24358067 0.88 SLC2A1 (0.72) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL13390220 0.84 KMT2A (0.69) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL24358218 0.84 GAA (0.63) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL30745708 0.84 GAA (0.63) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL24358152 0.83 SLC2A1 (0.72) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL27074002 0.83 TRPV4 (0.47) SLC2A1KCNN1KCNN2KCNN3MECP2
SCHEMBL30745699 0.83 SLC2A1 (0.61) SLC2A1KCNN1KCNN2KCNN3MECP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-03-05 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
WO-2014159938-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-02 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 (3 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-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS AADAT, ABAT, AASDHPPT SLC2A1 3688/4885KCNN1 4803/4885KCNN2 4756/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT SLC2A1 3456/4885KCNN1 4631/4885KCNN2 4533/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT SLC2A1 3688/4885KCNN1 4803/4885KCNN2 4756/4885

“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.