SCHEMBL2191978

SCHEMBL2191978

COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MAOB P27338 3/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
F10 P00742 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.46
PTPN1 P18031 1/20 0.46
HPGD P15428 1/20 0.46
PPIA P62937 1/20 0.46

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
SCHEMBL30082879 0.87 MYC (0.59) MAPTKMT2AMEN1MYCMAX
SCHEMBL527105 0.87 MYC (0.59) MAPTKMT2AMEN1MYCMAX
SCHEMBL646471 0.84 MEN1 (0.54) MAPTKMT2AMEN1MYCMAX
SCHEMBL30061165 0.84 MEN1 (0.54) MAPTKMT2AMEN1MYCMAX
SCHEMBL7552860 0.84 MEN1 (0.53) MAPTKMT2AMEN1MYCMAX
SCHEMBL23628886 0.83 AR (0.54) MAPTKMT2AMEN1MYCMAX
SCHEMBL27581338 0.82 MEN1 (0.51) MAPTKMT2AMEN1MYCMAX
SCHEMBL7654964 0.82 MAPT (0.49) MAPTKMT2AMEN1MYCMAX
SCHEMBL27497335 0.81 MYC (0.48) MAPTKMT2AMEN1MYCMAX
SCHEMBL27834942 0.81 POLB (0.50) MAPTKMT2AMEN1ALDH1A1HPGD

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
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MAPT 3535/4885KMT2A 770/4885MEN1 654/4885

“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.