SCHEMBL659094

SCHEMBL659094

CC(C)(C)Sc1c(Br)cc([N+](=O)[O-])cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
ESPL1 Q14674 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.34
PRKDC P78527 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NQO2 P16083 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL659677 0.83 KMT2A (0.44) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL659676 0.83 KMT2A (0.44) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL11258749 0.77 ERN1 (0.49) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL660309 0.76 ERN1 (0.37) ERN1LMNAPRKDC
SCHEMBL657768 0.72 ERN1 (0.46) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL1300350 0.72 ERN1 (0.59) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL30329716 0.72 ERN1 (0.59) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL658069 0.72 CYP2A6 (0.38) ERN1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1530203 0.72 ERN1 (0.55) ERN1ALDH1A1CYP3A4HTTMAPT
SCHEMBL27985725 0.72 ERN1 (0.54) ERN1ALDH1A1CYP3A4HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 ERN1 1589/4885ALDH1A1 490/4885CYP3A4 637/4885

“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.