SCHEMBL4397255

SCHEMBL4397255

Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 1.00
NPC1 O15118 10/20 1.00
MEN1 O00255 10/20 1.00
RAB9A P51151 9/20 1.00
MAPT P10636 4/20 1.00
NFKB1 P19838 4/20 1.00
NFKB2 Q00653 4/20 1.00
RELA Q04206 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
POLB P06746 3/20 1.00
ALDH1A1 P00352 2/20 1.00
TP53 P04637 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
PPP1CA P62136 2/20 1.00
ALPL P05186 1/20 1.00
KCNN1 Q92952 2/20 0.74
KCNN2 Q9H2S1 2/20 0.74
KCNN3 Q9UGI6 2/20 0.74
MBD2 Q9UBB5 2/20 0.74
MECP2 P51608 1/20 0.74

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
SCHEMBL30745771 0.86 KCNN1 (1.00) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL5155715 0.86 KCNN1 (1.00) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL6368980 0.84 KCNN1 (0.75) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL7678939 0.82 MAPT (0.81) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL15993250 0.81 KMT2A (0.68) KMT2ANPC1MEN1RAB9AMAPT
Bromide SCHEMBL7673197 0.81 MAPT (0.79) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL14742676 0.81 RAB9A (0.82) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL14742535 0.80 SLC2A1 (1.00) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL5157963 0.80 KCNN1 (1.00) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL29601716 0.80 KCNN1 (1.00) KMT2ANPC1MEN1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US claimed
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-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
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-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 WO disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 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 (4 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 KMT2A 1460/4885NPC1 2775/4885MEN1 3984/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT KMT2A 2026/4885NPC1 2013/4885MEN1 4122/4885
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 KMT2A 3199/4885NPC1 3610/4885MEN1 4325/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT KMT2A 1460/4885NPC1 2775/4885MEN1 3984/4885

“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.