SCHEMBL10097560

SCHEMBL10097560

CCn1c(-c2ccc(NP(=O)(OC)OC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.45
GRIK1 P39086 1/20 0.45
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
DYRK1A Q13627 1/20 0.38
PDE5A O76074 1/20 0.37
STS P08842 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGER4 P35408 1/20 0.35
HCRTR1 O43613 3/20 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
SCHEMBL13153366 0.93 GRIK2 (0.44) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13153364 0.92 GRIK2 (0.36) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10096236 0.85 GRIK2 (0.45) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10249761 0.84 NPSR1 (0.39) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152544 0.84 GRIK2 (0.60) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10097284 0.83 NPC1 (0.47) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152033 0.82 GRIK2 (0.46) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152594 0.82 MEN1 (0.47) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL13152559 0.82 GRIK2 (0.46) GRIK2GRIK1KDM4EALDH1A1MAPK1
SCHEMBL10252659 0.81 GRIK2 (0.54) GRIK2GRIK1KDM4EALDH1A1MAPK1

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US 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-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS GRIK2 2948/4885GRIK1 2562/4885KDM4E 4020/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885GRIK1 4307/4885KDM4E 4208/4885

“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.