SCHEMBL10241488

SCHEMBL10241488

CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(C)c([N+](=O)[O-])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 3/20 0.43
PTGS2 P35354 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM6 O15303 1/20 0.41
PRKCZ Q05513 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HTT P42858 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
SCHEMBL1917727 0.90 GAA (0.48) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL1919602 0.83 ALDH1A1 (0.41) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL6119870 0.79 ALOX5 (0.50) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL253511 0.78 GAA (0.53) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL2402202 0.77 ALOX5 (0.48) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL1918070 0.76 MEN1 (0.56) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL19401339 0.76 KDM4E (0.41) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL2402438 0.75 MEN1 (0.55) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL12940204 0.75 PTGS2 (0.55) ALOX5MEN1KMT2AGAAPTGS2
SCHEMBL1919271 0.74 MEN1 (0.40) MEN1KMT2AGAAPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 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 (4 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-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALOX5 1368/4885MEN1 4676/4885KMT2A 4624/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALOX5 1368/4885MEN1 4676/4885KMT2A 4624/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 ALOX5 1368/4885MEN1 4676/4885KMT2A 4624/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALOX5 1368/4885MEN1 4676/4885KMT2A 4624/4885

“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.