SCHEMBL1079094

SCHEMBL1079094

CSc1cccc(NC(=O)N2CCc3nc4ncccc4cc3C2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.60
RAB9A P51151 9/20 0.60
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PDGFRB P09619 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
GRM4 Q14833 1/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
PANK1 Q8TE04 1/20 0.41
PANK2 Q9BZ23 1/20 0.41
PANK3 Q9H999 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL998897 0.85 KDR (0.51) NPC1RAB9AMAPTPDGFRBSMN1; SMN2
SCHEMBL998095 0.84 NPC1 (0.50) NPC1RAB9APDGFRBCASP3SENP8
SCHEMBL996805 0.81 PDGFRB (0.48) NPC1RAB9AKMT2AMEN1PDGFRB
SCHEMBL1818123 0.77 NPC1 (0.58) NPC1RAB9APDGFRBSMN1; SMN2
SCHEMBL19478545 0.74 RAB9A (0.68) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL19472714 0.74 RAB9A (0.68) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2803023 0.73 MAPT (0.55) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL23326841 0.70 RAB9A (0.70) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL25240416 0.68 GPR142 (0.60) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL2400963 0.68 MAPT (0.74) NPC1RAB9AMAPTKMT2AMEN1

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS NPC1 707/4885RAB9A 2961/4885MAPT 4705/4885

“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.