SCHEMBL11903419

SCHEMBL11903419

CC(=O)c1cc(-c2ccc(F)cc2)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
TP53 P04637 3/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 5/20 0.57
TDP1 Q9NUW8 2/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52

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
SCHEMBL72428 0.84 ALDH1A1 (0.72) NPC1RAB9ATP53MAPTHTT
SCHEMBL11965067 0.84 NPC1 (0.61) NPC1RAB9ATP53MAPTHTT
SCHEMBL15196594 0.84 ALDH1A1 (0.72) NPC1RAB9ATP53MAPTHDAC6
SCHEMBL2791692 0.83 RAB9A (0.60) NPC1RAB9ATP53MAPTHTT
SCHEMBL10545373 0.82 ALDH1A1 (0.73) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL19814196 0.82 MAPT (0.73) NPC1RAB9ATP53MAPTHTT
SCHEMBL1686391 0.79 TP53 (0.62) NPC1RAB9ATP53MAPTHTT
SCHEMBL17661436 0.79 NPC1 (0.76) NPC1RAB9ATP53MAPTHTT
SCHEMBL11903187 0.76 LMNA (0.56) NPC1RAB9ATP53MAPTHTT
SCHEMBL71292 0.75 HDAC6 (0.71) NPC1RAB9ATP53MAPTHTT

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-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 NPC1 13/4885RAB9A 856/4885TP53 1469/4885

“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.