SCHEMBL10097337

SCHEMBL10097337

CCn1c(-c2ccc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.48
CDK8 P49336 1/20 0.46
MTNR1A P48039 4/20 0.46
NTRK1 P04629 3/20 0.46
NTRK2 Q16620 3/20 0.46
CSF1R P07333 1/20 0.46
RAF1 P04049 1/20 0.45
GRIK2 Q13002 1/20 0.44
PGR P06401 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL10097284 0.93 NPC1 (0.47) MTNR1BNTRK1NTRK2GRIK2TP53
SCHEMBL10097305 0.93 CDK8 (0.50) MTNR1BCDK8MTNR1ANTRK1NTRK2
SCHEMBL10251045 0.86 MEN1 (0.53) NTRK1NTRK2GRIK2TP53TSHR
SCHEMBL10252498 0.86 FPR2 (0.53) MTNR1BMTNR1ANTRK1NTRK2MEN1
SCHEMBL10192523 0.86 MET (0.47) MTNR1BMTNR1ANTRK1NTRK2CSF1R
SCHEMBL13152594 0.86 MEN1 (0.47) MTNR1BMTNR1AGRIK2MEN1NPC1
SCHEMBL13152356 0.86 RAB9A (0.56) GRIK2MEN1NPC1RAB9AKMT2A
SCHEMBL13152563 0.85 TRPV1 (0.51) GRIK2PGRTP53MEN1NPC1
SCHEMBL10252377 0.85 GRIK2 (0.45) GRIK2KDM4EALDH1A1
SCHEMBL13152579 0.85 PFKFB2 (0.44) NTRK1NTRK2GRIK2TP53TSHR

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 4 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
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (1 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1B 827/4885CDK8 2065/4885MTNR1A 908/4885

“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.