SCHEMBL2858573

SCHEMBL2858573

Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PPARG P37231 1/20 0.43
PYGL P06737 1/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
RGS12 O14924 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
FFAR1 O14842 1/20 0.42
KDR P35968 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL2194430 0.90 KMT2A (0.54) MAPTALDH1A1KMT2AMEN1PYGL
SCHEMBL2853234 0.88 BRAF (0.42) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2851245 0.87 FFAR1 (0.51) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2853892 0.86 BRAF (0.44) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2851377 0.83 BRAF (0.53) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2857192 0.81 SETD7 (0.53) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2192962 0.79 BRAF (0.41) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2194097 0.78 CRHBP (0.52) MAPTALDH1A1KMT2AMEN1PYGL
SCHEMBL15495144 0.77 BRAF (0.40) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL2853938 0.77 KDR (0.47) MAPTALDH1A1HPGDLMNAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MAPT 4439/4885ALDH1A1 625/4885KMT2A 974/4885

“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.