SCHEMBL2194097

SCHEMBL2194097

Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
FFAR1 O14842 1/20 0.51
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
SETD7 Q8WTS6 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
BRAF P15056 1/20 0.44
PYGL P06737 2/20 0.43

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
SCHEMBL2197247 0.91 SETD7 (0.57) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2853892 0.88 BRAF (0.44) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2195102 0.88 AR (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2190036 0.87 FFAR1 (0.66) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2194430 0.86 KMT2A (0.54) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2192812 0.81 BRAF (0.54) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2857192 0.79 SETD7 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2858573 0.78 MAPT (0.48) CRHBPCRHR2FFAR1MEN1KMT2A
SCHEMBL2193281 0.78 RAB9A (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2191722 0.78 RAB9A (0.55) MEN1KMT2AMAPTALDH1A1LMNA

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 CRHBP 3332/4885CRHR2 3983/4885FFAR1 3939/4885

“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.