SCHEMBL6450818

SCHEMBL6450818

COc1ccc(C=CC(=O)N(C)C)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS2 P35354 1/20 0.50
MAOB P27338 1/20 0.48
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
TNFRSF1A P19438 1/20 0.46
USP30 Q70CQ3 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7053382 0.84 TRIM24 (0.57) CYP1A1CYP1A2CYP1B1MAPTALDH1A1
SCHEMBL30380928 0.83 MIF (0.61) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL1920580 0.83 MIF (0.61) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL1920579 0.83 MIF (0.61) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL15239140 0.83 MIF (0.61) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL29090933 0.83 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL22398305 0.82 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL30632936 0.82 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL19972316 0.82 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9
SCHEMBL14272842 0.82 CA12 (0.57) CYP1A1CYP1A2CYP1B1CA12CA9

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC CYP1A1 83/4885CYP1A2 47/4885CYP1B1 91/4885

“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.