SCHEMBL16137396

SCHEMBL16137396

Cc1cccnc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.79
RAB9A P51151 12/20 0.79
KMT2A Q03164 10/20 0.79
MEN1 O00255 9/20 0.79
POLB P06746 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
GAA P10253 7/20 0.70
MAPT P10636 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NFKB1 P19838 3/20 0.70
NFKB2 Q00653 3/20 0.70
RELA Q04206 3/20 0.70
KDM4E B2RXH2 3/20 0.67
LMNA P02545 2/20 0.67
HSP90AA1 P07900 1/20 0.67
SLC2A1 P11166 1/20 0.67
AGTR1 P30556 1/20 0.67
OPRK1 P41145 1/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67

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
SCHEMBL16137398 0.88 RAB9A (0.85) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL16137473 0.84 RAB9A (0.82) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL7679868 0.83 MAPK1 (0.82) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL15993718 0.82 RAB9A (0.73) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL30745670 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL16112373 0.80 NPC1 (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL29858646 0.80 RAB9A (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3407963 0.80 RAB9A (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL12158226 0.80 MAPK1 (0.76) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL207418 0.80 GAA (0.70) NPC1RAB9AKMT2AMEN1POLB

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 NPC1 2775/4885RAB9A 2696/4885KMT2A 1460/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT NPC1 2013/4885RAB9A 3225/4885KMT2A 2026/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT NPC1 2775/4885RAB9A 2696/4885KMT2A 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.