SCHEMBL4527410

SCHEMBL4527410

CC(C)(O)CNc1c([N+](=O)[O-])cnc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 5/20 0.38
MAPT P10636 3/20 0.38
TNF P01375 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NOD2 Q9HC29 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 4/20 0.36
CCNC P24863 1/20 0.36

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
SCHEMBL3862496 0.91 PTGES (0.41) MAPK1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1490855 0.83 SMN1; SMN2 (0.41) MAPK1NPSR1HTTMAPTMEN1
SCHEMBL29481131 0.83 SMN1; SMN2 (0.41) MAPK1NPSR1HTTMAPTMEN1
SCHEMBL3861961 0.83 TNF (0.39) TNFCCNCCDK8PDPK1
SCHEMBL1490885 0.81 LMNA (0.33) GAAMAPTLMNASMN1; SMN2CYP1A2
SCHEMBL1585667 0.80 EGFR (0.43) MAPK1RXFP1NPSR1GAAHTT
SCHEMBL3862247 0.80 MAPK1 (0.42) MAPK1RXFP1NPSR1GAAHTT
SCHEMBL6722348 0.80 CYP3A4 (0.40) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL24381954 0.80 LMNA (0.46) MAPK1RXFP1NPSR1GAAHTT
SCHEMBL29620050 0.80 LMNA (0.46) MAPK1RXFP1NPSR1GAAHTT

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
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
EP-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO 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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG MAPK1 2491/4885RXFP1 4172/4885NPSR1 3769/4885

“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.