SCHEMBL881073

SCHEMBL881073

COc1ccc2c(c1)C=C(c1cccc(N3CCOCC3)n1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.43
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
SCN9A Q15858 2/20 0.37
KCNH2 Q12809 5/20 0.35
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL10186659 0.90 NR1I2 (0.42) NR1I2TP53KDM4EALDH1A1TSHR
SCHEMBL10186689 0.89 NR1I2 (0.59) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL880936 0.84 NR1I2 (0.38) NR1I2TP53KDM4EALDH1A1TSHR
SCHEMBL881001 0.84 NR1I2 (0.48) NR1I2ALDH1A1PRKCAMMP12SCN9A
SCHEMBL881076 0.83 PRKCA (0.45) NR1I2PRKCAMMP12KCNH2CYP3A4
SCHEMBL13520521 0.82 NR1I2 (0.39) NR1I2KDM4EALDH1A1TSHRTDP1
SCHEMBL880962 0.82 NR1I2 (0.46) NR1I2TP53KDM4EALDH1A1TSHR
SCHEMBL881065 0.81 NR1I2 (0.40) NR1I2ALDH1A1TSHRPRKCAMMP12
SCHEMBL841461 0.81 NR1I2 (0.49) NR1I2ALDH1A1PRKCAMMP12SCN9A
SCHEMBL881050 0.81 NR1I2 (0.41) NR1I2ALDH1A1TSHRPRKCAMMP12

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 189/4885TP53 1572/4885KDM4E 3736/4885

“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.