SCHEMBL881001

SCHEMBL881001

COc1ccc2c(c1)C=C(c1cc(C(=O)N3CCOCC3)ccn1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
CDK9 P50750 1/20 0.38
CASP7 P55210 1/20 0.38
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
HPGD P15428 1/20 0.36
PROKR1 Q8TCW9 2/20 0.35
MAPK7 Q13164 2/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10186891 0.89 NR1I2 (0.66) NR1I2SCN9AKCNH2
SCHEMBL13936872 0.88 NR1I2 (0.61) NR1I2L3MBTL1RAB9APRKCAMMP12
SCHEMBL880960 0.87 NR1I2 (0.47) NR1I2L3MBTL1PRKCAMMP12ALDH1A1
SCHEMBL841219 0.87 NR1I2 (0.47) NR1I2RAB9APRKCAMMP12ALDH1A1
SCHEMBL841461 0.86 NR1I2 (0.49) NR1I2L3MBTL1PRKCAMMP12ALDH1A1
SCHEMBL862635 0.85 NR1I2 (0.46) NR1I2PRKCAMMP12ALDH1A1POLB
SCHEMBL10186659 0.84 NR1I2 (0.42) NR1I2RAB9APRKCAMMP12ALDH1A1
SCHEMBL881073 0.84 NR1I2 (0.43) NR1I2PRKCAMMP12ALDH1A1SCN9A
SCHEMBL862664 0.84 NR1I2 (0.45) NR1I2PRKCAMMP12ALDH1A1POLB
SCHEMBL862636 0.84 NR1I2 (0.45) NR1I2PRKCAMMP12ALDH1A1POLB

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
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 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-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885L3MBTL1 4160/4885RAB9A 2988/4885

“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.