SCHEMBL10193458

SCHEMBL10193458

CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(C)cc3n2CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.46
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 3/20 0.38
ESR1 P03372 2/20 0.36
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
PRF1 P14222 1/20 0.35
MMP2 P08253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PFKFB2 O60825 1/20 0.35
NSD2 O96028 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
DOT1L Q8TEK3 1/20 0.35
AS3MT Q9HBK9 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL980098 0.92 MMP3 (0.45) MMP3KDM4ENPC1GRIK1GRIK2
SCHEMBL10193457 0.91 MTNR1A (0.43) MMP3NPC1ESR1ALDH1A1MAPK1
SCHEMBL10193447 0.84 GRIK2 (0.42) ESR1GRIK1GRIK2PRF1ALDH1A1
SCHEMBL10193460 0.84 GRIK2 (0.37) MMP3ESR1GRIK1GRIK2MMP2
SCHEMBL10193451 0.83 ALDH1A1 (0.42) KDM4ENPC1ESR1GRIK1GRIK2
SCHEMBL14467739 0.82 ESR1 (0.44) MMP3ESR1ALDH1A1MAPK1L3MBTL1
SCHEMBL982397 0.82 MTNR1A (0.50) MMP3GRIK1GRIK2ALDH1A1MAPK1
SCHEMBL10193465 0.81 ALDH1A1 (0.42) KDM4EGRIK1GRIK2PRF1ALDH1A1
SCHEMBL10193452 0.81 GRIK2 (0.41) ESR1GRIK1GRIK2ALDH1A1PFKFB2
SCHEMBL10193446 0.81 GRIK2 (0.41) ESR1GRIK1GRIK2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MMP3 989/4885KDM4E 3422/4885NPC1 48/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MMP3 696/4885KDM4E 3703/4885NPC1 297/4885

“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.