SCHEMBL2851245

SCHEMBL2851245

N#CC1(c2cccc(C(=O)Nc3cccc(Oc4ccc([N+](=O)[O-])cn4)c3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
BRAF P15056 1/20 0.49
MAPT P10636 8/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
RGS12 O14924 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2190036 0.88 FFAR1 (0.66) FFAR1BRAFMAPTMEN1KMT2A
SCHEMBL2853892 0.88 BRAF (0.44) FFAR1BRAFMAPTMEN1KMT2A
SCHEMBL2857192 0.87 SETD7 (0.53) BRAFMAPTMEN1KMT2ALMNA
SCHEMBL2858573 0.87 MAPT (0.48) FFAR1BRAFMAPTMEN1KMT2A
SCHEMBL2851508 0.81 BRAF (0.57) FFAR1BRAFMAPTLMNAALDH1A1
SCHEMBL2853263 0.79 GAA (0.66) FFAR1BRAFMAPTALDH1A1GAA
SCHEMBL2851251 0.79 CDK8 (0.52) BRAF
SCHEMBL2194097 0.78 CRHBP (0.52) FFAR1BRAFMAPTMEN1KMT2A
SCHEMBL2858917 0.77 HSPB1 (0.54) FFAR1MAPTMEN1KMT2ALMNA
SCHEMBL2858921 0.77 HSPB1 (0.54) FFAR1MAPTMEN1KMT2ALMNA

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 FFAR1 3055/4885BRAF 1/4885MAPT 4439/4885

“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.