SCHEMBL10097694

SCHEMBL10097694

CCCn1c(-c2ccc(N)cc2)c(N)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
RAB9A P51151 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DYRK1A Q13627 3/20 0.43
AS3MT Q9HBK9 1/20 0.43
PLK1 P53350 3/20 0.41
PLK3 Q9H4B4 3/20 0.41
PLK2 Q9NYY3 3/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDE5A O76074 1/20 0.38
ACSS2 Q9NR19 1/20 0.38

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
SCHEMBL10096214 0.87 AS3MT (0.53) MAOBRAB9AGAAMAPTMAOA
SCHEMBL13152663 0.85 AR (0.54) RAB9ASMN1; SMN2DYRK1AMEN1NPC1
SCHEMBL13152382 0.85 AR (0.55) RAB9ASMN1; SMN2DYRK1AAS3MTPLK1
SCHEMBL12950256 0.84 AR (0.52) RAB9AGAAMAPTSMN1; SMN2DYRK1A
SCHEMBL13214446 0.83 ALDH1A1 (0.46) RAB9AMAPTSMN1; SMN2MEN1NPC1
SCHEMBL13152348 0.82 MAOB (0.49) MAOBRAB9AGAAMAPTMAOA
SCHEMBL10097698 0.82 AR (0.41) RAB9ASMN1; SMN2DYRK1AMEN1NPC1
SCHEMBL13151779 0.81 MAOB (0.48) MAOBRAB9AGAAMAPTMAOA
SCHEMBL13151799 0.81 AS3MT (0.58) MAOBRAB9AGAAMAPTMAOA
SCHEMBL13152630 0.78 AR (0.55) MAOBRAB9ASMN1; SMN2AS3MTMEN1

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 6 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-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
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 MAOB 4153/4885RAB9A 2829/4885GAA 667/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAOB 1255/4885RAB9A 2969/4885GAA 68/4885

“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.