SCHEMBL6489059

SCHEMBL6489059

COCOc1ccc(CBr)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 12/20 0.48
MAPT P10636 7/20 0.48
LMNA P02545 5/20 0.44
PKM P14618 1/20 0.44
HTT P42858 3/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALPG P10696 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.40
TTR P02766 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
SCHEMBL97957 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAPKMHTT
SCHEMBL12497021 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL11952999 0.81 MAPT (0.70) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL7467338 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTLMNAPKM
SCHEMBL9423816 0.80 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1MAPTLMNAPKM
SCHEMBL3994909 0.78 POLB (0.56) SMN1; SMN2ALDH1A1MAPTLMNARAB9A
SCHEMBL30008070 0.78 POLB (0.56) SMN1; SMN2ALDH1A1MAPTLMNARAB9A
SCHEMBL4678055 0.77 CA2 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL9153926 0.77 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL7475005 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAPKM

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-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent NIPPON SODA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1435353-A1 NOVEL HETEROCYCLIC COMPOUND AND ANTI-INFLAMMATORY AGENT NIPPON SODA CO., LTD. (JP) 2004-07-07 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-20050032858-A1 Novel heterocyclic compound and anti-inflamatory agent TLR5, IRF3, IL4 SMN1; SMN2 2638/4885ALDH1A1 2547/4885MAPT 4288/4885

“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.