SCHEMBL10198368

SCHEMBL10198368

COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL15032637 0.89 LMNA (0.52) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL15032500 0.88 SHMT2 (0.60) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL15032502 0.88 MAPT (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL15032635 0.87 ALDH1A1 (0.53) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL15032503 0.86 MEN1 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL15032636 0.86 SHMT2 (0.50) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL15032501 0.86 MAPT (0.53) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL15032504 0.75 ALDH1A1 (0.56) KMT2AMAPTALDH1A1GAARAB9A
SCHEMBL14059008 0.72 NPC1 (0.53) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL855488 0.71 HSD17B10 (0.48) KMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
WO-2012006104-A2 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION Academia Sinica, Taiwan (TW) 2012-01-12 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 (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-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION TALDO1, PGD, DLD KMT2A 2118/4885MEN1 3731/4885MAPK1 2839/4885

“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.