SCHEMBL12995207

SCHEMBL12995207

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.37
SSTR5 P35346 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
RIPK3 Q9Y572 1/20 0.36

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
SCHEMBL12995325 0.95 ALDH1A1 (0.38) NPSR1ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL12995209 0.92 AURKA (0.39) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL12995206 0.91 TP53 (0.37) NPSR1CYP2C9CYP2C19LMNAMAPT
SCHEMBL12994962 0.90 RAB9A (0.39) NPSR1ALDH1A1CYP2C9CYP2C19LMNA
SCHEMBL12995213 0.90 KDM1A (0.40) CYP2C9CYP2C19MAPTKMT2AMEN1
SCHEMBL12994960 0.87 NPC1 (0.40) ALDH1A1CYP2C9CYP2C19LMNAMAPT
SCHEMBL12995091 0.87 RAB9A (0.40) ALDH1A1CYP2C9CYP2C19LMNAMAPT
SCHEMBL14467703 0.87 TP53 (0.39) ALDH1A1CYP2C9CYP2C19MAPTKMT2A
SCHEMBL12995327 0.87 AURKA (0.38) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL12995482 0.87 NPC1 (0.52) LMNAFAAHMAPTKMT2AMEN1

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 NPSR1 3320/4885ALDH1A1 1497/4885CYP2C9 3639/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPSR1 3320/4885ALDH1A1 1497/4885CYP2C9 3639/4885

“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.