SCHEMBL10097331

SCHEMBL10097331

CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.52
CNR1 P21554 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL10252498 0.93 FPR2 (0.53) FPR2CNR1CA12CA1CA2
SCHEMBL10097693 0.92 KMT2A (0.52) FPR2CNR1CA12CA1CA2
SCHEMBL10254338 0.89 PKM (0.44) MAPTMTNR1BPOLBSMN1; SMN2HTT
SCHEMBL10097427 0.88 KMT2A (0.52) FPR2CNR1CA12CA1CA2
SCHEMBL10095994 0.88 FPR2 (0.49) FPR2CNR1CA12CA1CA2
SCHEMBL13153261 0.88 MTNR1B (0.49) KMT2AMEN1MTNR1AMTNR1BROCK2
SCHEMBL10097381 0.85 KMT2A (0.53) FPR2CNR1CA12CA1CA2
SCHEMBL13152308 0.85 HSD17B10 (0.42) MAPTMTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL10251176 0.85 HSD17B10 (0.44) MAPTMTNR1BPOLBSMN1; SMN2HTT
SCHEMBL10097669 0.85 FPR2 (0.52) FPR2CNR1CA12CA1CA2

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 3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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 (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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS FPR2 1314/4885CNR1 1207/4885CA12 1807/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP FPR2 2739/4885CNR1 2056/4885CA12 2269/4885

“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.