SCHEMBL12844692

SCHEMBL12844692

Oc1nc2ccc(F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.61
AXL P30530 1/20 0.61
MAPT P10636 5/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
PKM P14618 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
PDPK1 O15530 1/20 0.53
DYRK1A Q13627 1/20 0.53
NPC1 O15118 6/20 0.51
APP P05067 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
SULT1A1 P50225 1/20 0.51
LRRK2 Q5S007 2/20 0.48

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
SCHEMBL2217147 0.79 HTT (0.66) MAPTDYRK1AAPPSULT1A1GAA
SCHEMBL9255622 0.79 GFER (0.66) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL3644141 0.78 PDPK1 (0.55) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL1639031 0.78 GFER (0.63) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL369984 0.76 GFER (0.61) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL7005689 0.76 GFER (0.61) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL7700068 0.76 GFER (0.61) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL2615304 0.76 SMN1; SMN2 (0.61) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL2615303 0.76 SMN1; SMN2 (0.61) GFERAXLMAPTKDM4EALDH1A1
SCHEMBL7222746 0.76 GFER (0.61) GFERAXLMAPTKDM4EALDH1A1

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-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 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-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 GFER 4345/4885AXL 3631/4885MAPT 4553/4885

“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.