SCHEMBL6448969

SCHEMBL6448969

Bc1cc2c(c(Br)c1[N+](=O)[O-])OCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 2/20 0.35
PTGS1 P23219 6/20 0.33
PTGS2 P35354 6/20 0.33
ALOX5 P09917 4/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
NOTUM Q6P988 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30

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
SCHEMBL6444615 0.72 ERN1 (0.36) PTGS1PTGS2ALOX5GAALMNA
SCHEMBL449605 0.65 ALDH1A1 (0.42) LMNAMAPTMEN1ALDH1A1MAPK1
SCHEMBL16178941 0.65 AKR1B1 (0.45) PTGS1PTGS2NOTUMMEN1ALDH1A1
SCHEMBL10440200 0.62 NR3C1 (0.35) PTGS1PTGS2ALOX5NOTUM
SCHEMBL22601491 0.62 CYP3A4 (0.58) HNF4ALMNAMAPTHTTMEN1
SCHEMBL31525280 0.62 PTGS1 (0.32) PTGS1PTGS2ALOX5LMNAMAPT
SCHEMBL2489432 0.61 AHR (0.38) PTGS1PTGS2ALOX5NOTUM
SCHEMBL31149367 0.61 ALDH1A1 (0.41) GAAMAPTHTTMEN1ALDH1A1
SCHEMBL15328737 0.60 RXRA (0.44) LMNAMAPTHTTMEN1ALDH1A1
SCHEMBL15328740 0.60 RXRA (0.44) LMNAMAPTHTTMEN1ALDH1A1

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-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B HNF4A 671/4885PTGS1 2578/4885PTGS2 3264/4885

“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.