SCHEMBL12995352

SCHEMBL12995352

CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
EPHX2 P34913 9/20 0.40
EPHX1 P07099 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
GAA P10253 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37

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
SCHEMBL13052117 0.90 NPC1 (0.51) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL12995353 0.89 NPC1 (0.50) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL12995356 0.88 NPC1 (0.49) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL10096450 0.88 NPC1 (0.52) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL12995037 0.88 MEN1 (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10096316 0.87 RAB9A (0.54) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL12995358 0.86 NPC1 (0.52) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL10096495 0.86 RAB9A (0.55) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL14466164 0.86 NPC1 (0.50) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL10096459 0.86 NPC1 (0.50) NPC1RAB9AEPHX2EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885EPHX2 2630/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885EPHX2 2630/4885

“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.