SCHEMBL14168446

SCHEMBL14168446

CC(C(=O)c1ccc(F)cc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP19A1 P11511 1/20 0.44
ROCK2 O75116 3/20 0.43
SLC6A9 P48067 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ROCK1 Q13464 2/20 0.42
MAPKAPK2 P49137 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGS2 P35354 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL681159 0.82 NPC1 (0.58) CYP3A4HSD17B10CES2CES1L3MBTL1
SCHEMBL8821906 0.81 LTA4H (0.56) LTA4HKMT2AMEN1TAAR1SLC6A9
Hydrochloric Acid SCHEMBL11489832 0.79 LTA4H (0.55) LTA4HCYP3A4KMT2AMEN1TAAR1
SCHEMBL4470958 0.79 LTA4H (0.55) LTA4HCYP3A4KMT2AMEN1TAAR1
SCHEMBL17483917 0.79 NPC1 (0.50) CES2CES1L3MBTL1NPC1PTGS2
Bromide SCHEMBL2795481 0.78 LTA4H (0.53) LTA4HCYP3A4KMT2AMEN1TAAR1
Hydrochloric Acid SCHEMBL4469144 0.78 LTA4H (0.53) LTA4HCYP3A4KMT2AMEN1TAAR1
SCHEMBL16162796 0.77 ALDH1A1 (0.55) CYP1A2CYP3A4KMT2AMEN1SLC6A9
SCHEMBL16162350 0.77 ALDH1A1 (0.55) CYP1A2CYP3A4KMT2AMEN1SLC6A9
SCHEMBL16171185 0.77 LMNA (0.48) CYP3A4L3MBTL1AKR1C3AKR1C2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139596-A1 Modulators of Hcv Replication ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-12 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-20080139596-A1 Modulators of Hcv Replication EIF2AK2, MAVS, IRF3 LTA4H 3945/4885CYP1A2 3321/4885CYP3A4 1933/4885

“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.