SCHEMBL903160

SCHEMBL903160

Bc1cnc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(c5nc6ccc(/C=C/C(=O)O)cc6n5C)CCC4)cc3n2C)nc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CYP2C8 P10632 1/20 0.67
CYP3A4 P08684 16/20 0.55
CYP2C19 P33261 15/20 0.55
CYP2C9 P11712 4/20 0.54
KCNH2 Q12809 1/20 0.49
CYP2D6 P10635 2/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL904343 0.94 CYP1A2 (0.68) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109234 0.93 CYP1A2 (0.67) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL900174 0.93 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL900176 0.93 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
Deleobuvir SCHEMBL29379674 0.93 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109353 0.93 CYP1A2 (0.76) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109258 0.89 CYP1A2 (0.62) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL13680374 0.89 CYP1A2 (0.62) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109298 0.88 CYP1A2 (0.61) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9
SCHEMBL15109363 0.88 CYP1A2 (0.70) CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
WO-2012044520-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-05 WO 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-20120135949-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION HAVCR2, EIF2AK2, SLC10A1 CYP1A2 2933/4885CYP2C8 2071/4885CYP3A4 2427/4885

“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.