SCHEMBL6832664

SCHEMBL6832664

COc1c(N=O)cc(Br)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TNFRSF1A P19438 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ERBB2 P04626 2/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 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
SCHEMBL1304740 0.81 PTGS2 (0.50) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL13379302 0.81 RARG (0.39) PTGS2ALDH1A1TSHRTDP1TNFRSF1A
SCHEMBL15501076 0.77 CA2 (0.43) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL1530698 0.76 HSD17B10 (0.47) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL14112766 0.74 ALOX15 (0.44) PTGS2ALDH1A1TSHRTDP1PTGDR2
SCHEMBL7968046 0.74 PTGS2 (0.41) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL12678876 0.73 PTGS2 (0.40) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL1730807 0.73 PTGS2 (0.40) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL1542282 0.72 ERN1 (0.47) PTGS2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL13123421 0.72 SMN1; SMN2 (0.33) ALDH1A1TSHRTDP1MEN1USP2

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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 PTGS2 4240/4885ALDH1A1 938/4885TSHR 1655/4885

“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.