SCHEMBL16112445

SCHEMBL16112445

CCOC(=O)c1sc(Nc2ncccc2C)nc1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
SLC2A1 P11166 1/20 0.50
NFKB1 P19838 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL15993345 0.87 DHODH (0.58) DHODHLMNAKMT2AMAPTNPC1
SCHEMBL15993418 0.82 DHODH (0.53) DHODHLMNAKMT2AMAPTNPC1
SCHEMBL27039800 0.82 DHODH (0.53) DHODHLMNAKMT2AMAPTNPC1
SCHEMBL19782726 0.81 LMNA (0.56) DHODHLMNAKMT2AMAPTNPC1
SCHEMBL17485927 0.79 NPC1 (0.57) LMNAKMT2AMAPTNPC1NPSR1
SCHEMBL19782992 0.78 DHODH (0.56) DHODHKMT2AMAPTNPC1NPSR1
SCHEMBL29078713 0.78 DHODH (0.56) DHODHLMNAKMT2AMAPTNPC1
SCHEMBL3403482 0.78 LMNA (0.62) DHODHLMNAKMT2ANPC1KDM4E
SCHEMBL18236334 0.78 ALDH1A1 (0.69) DHODHLMNAKMT2ANPC1KDM4E
SCHEMBL15993447 0.77 DHODH (0.54) DHODHLMNAKMT2AMAPTNPC1

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 8 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-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
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 DHODH 80/4885LMNA 4407/4885KMT2A 1460/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT DHODH 128/4885LMNA 3254/4885KMT2A 2026/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT DHODH 80/4885LMNA 4407/4885KMT2A 1460/4885

“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.