SCHEMBL12995482

SCHEMBL12995482

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
EPHX1 P07099 2/20 0.44
RECQL P46063 1/20 0.44
EPHX2 P34913 10/20 0.43
FPR2 P25090 1/20 0.42
FAAH O00519 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13053079 0.93 NPC1 (0.52) NPC1RAB9AEPHX1EPHX2TAS1R3
SCHEMBL14468119 0.92 RAB9A (0.52) NPC1RAB9AEPHX1EPHX2TAS1R3
SCHEMBL12995485 0.92 NPC1 (0.52) NPC1RAB9AEPHX1EPHX2FAAH
SCHEMBL12995473 0.91 NPC1 (0.49) NPC1RAB9AEPHX1EPHX2FPR2
SCHEMBL12995332 0.90 NPC1 (0.55) NPC1RAB9AEPHX1RECQLEPHX2
SCHEMBL12995487 0.90 NPC1 (0.52) NPC1RAB9AEPHX1EPHX2TAS1R3
SCHEMBL12995383 0.87 NPC1 (0.56) NPC1RAB9AEPHX1EPHX2TAS1R3
SCHEMBL12995207 0.87 NPSR1 (0.40) NPC1RAB9AFAAHMEN1KMT2A
SCHEMBL10096151 0.87 NPC1 (0.48) NPC1RAB9AEPHX1EPHX2TAS1R3
SCHEMBL12995348 0.86 NPC1 (0.55) NPC1RAB9AEPHX1EPHX2TAS1R3

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 6 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

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 2829/4885EPHX1 2993/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885EPHX1 2993/4885

“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.