SCHEMBL12995485

SCHEMBL12995485

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
EPHX1 P07099 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 5/20 0.43
FAAH O00519 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.39
KDR P35968 1/20 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
SCHEMBL13053079 0.93 NPC1 (0.52) NPC1RAB9AEPHX1SMN1; SMN2CYP2C19
SCHEMBL14468119 0.92 RAB9A (0.52) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL12995482 0.92 NPC1 (0.52) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL12995334 0.90 NPC1 (0.55) NPC1RAB9AEPHX1SMN1; SMN2CYP2C19
SCHEMBL12995487 0.90 NPC1 (0.52) NPC1RAB9AEPHX1SMN1; SMN2EPHX2
SCHEMBL12995473 0.90 NPC1 (0.49) NPC1RAB9AEPHX1EPHX2
SCHEMBL12995348 0.88 NPC1 (0.55) NPC1RAB9AEPHX1SMN1; SMN2CYP2C19
SCHEMBL12995383 0.87 NPC1 (0.56) NPC1RAB9AEPHX1SMN1; SMN2ALDH1A1
SCHEMBL12995209 0.87 AURKA (0.39) NPC1RAB9ASMN1; SMN2CYP2C19CYP2C9
SCHEMBL12995332 0.86 NPC1 (0.55) NPC1RAB9AEPHX1SMN1; SMN2EPHX2

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 2829/4885EPHX1 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.