SCHEMBL2193086

SCHEMBL2193086

CC(Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C(C)Oc4cccc(Cl)c4)cc3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.46
CREBBP Q92793 5/20 0.46
KCNH2 Q12809 1/20 0.43
POLB P06746 1/20 0.42
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL845382 0.82 EP300 (0.52) EP300CREBBPKCNH2POLBALDH1A1
SCHEMBL2193405 0.79 EP300 (0.43) EP300CREBBPKCNH2DGAT1PABPC1
SCHEMBL2193228 0.79 KCNH2 (0.44) KCNH2POLBALDH1A1LMNAPABPC1
SCHEMBL2196787 0.78 ALDH1A1 (0.49) KCNH2POLBALDH1A1LMNAPABPC1
SCHEMBL2195706 0.78 SMO (0.48) KCNH2DGAT1ALDH1A1LMNAPABPC1
SCHEMBL2197138 0.78 KCNH2 (0.56) EP300CREBBPKCNH2ALDH1A1LMNA
SCHEMBL2197078 0.78 KCNH2 (0.56) EP300CREBBPKCNH2ALDH1A1LMNA
SCHEMBL2198301 0.78 KCNH2 (0.53) KCNH2DGAT1ALDH1A1PABPC1CYP1A2
SCHEMBL2195345 0.78 KCNH2 (0.53) KCNH2DGAT1ALDH1A1PABPC1CYP1A2
SCHEMBL13571673 0.77 ALDH1A1 (0.47) KCNH2DGAT1ALDH1A1PABPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed

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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 EP300 2504/4885CREBBP 2173/4885KCNH2 4617/4885

“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.