SCHEMBL2128733

SCHEMBL2128733

COc1c(/C=C/c2ccc([N+](=O)[O-])cc2C(=O)N(C)C)cc(Br)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 7/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.34
KRAS P01116 2/20 0.34
LMNA P02545 2/20 0.34
NTSR1 P30989 1/20 0.34
PTGS2 P35354 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
POLB P06746 2/20 0.33
HKDC1 Q2TB90 1/20 0.33
TP53 P04637 1/20 0.33
TYR P14679 1/20 0.33

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
SCHEMBL2128737 1.00 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1HPGDNPSR1
SCHEMBL13263483 0.88 ALDH1A1 (0.38) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL2618831 0.82 ALDH1A1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1764404 0.81 CCR5 (0.39) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1764405 0.81 CCR5 (0.39) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL13030222 0.80 AR (0.45) L3MBTL1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL2618843 0.80 PTGS2 (0.54) ALDH1A1MAPTTDP1TSHRKRAS
SCHEMBL1764548 0.79 CCR5 (0.39) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL1764551 0.79 CCR5 (0.39) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL6766099 0.77 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B L3MBTL1 2345/4885KMT2A 2398/4885MEN1 4639/4885

“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.