SCHEMBL2198046

SCHEMBL2198046

O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)C(O)C(F)(F)F)cc3)o2)cc1)[C@@H]1CCCN1C(=O)C(O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGAT1 O75907 1/20 0.40
SMO Q99835 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP2C9 P11712 2/20 0.38

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
SCHEMBL2195345 0.84 KCNH2 (0.53) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL2198301 0.84 KCNH2 (0.53) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL13571673 0.84 ALDH1A1 (0.47) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL2196787 0.83 ALDH1A1 (0.49) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL14664066 0.83 SMO (0.46) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL13570409 0.83 SMO (0.46) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL12490017 0.82 SMO (0.45) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL2194278 0.82 KCNH2 (0.45) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL2193228 0.82 KCNH2 (0.44) KCNH2MEN1KMT2ANPC1KDM4E
SCHEMBL13570367 0.82 CNR2 (0.48) KCNH2MEN1KMT2ANPC1KDM4E

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 KCNH2 4617/4885RHOC 1526/4885RHOA 3367/4885

“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.