SCHEMBL5139470

SCHEMBL5139470

c1ccc2c(c1)Nc1ccc(-c3ccncc3)cc1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
GAA P10253 6/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
IDO1 P14902 1/20 0.58
NOX1 Q9Y5S8 10/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SNCA P37840 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
ALOX15 P16050 2/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ALOX12 P18054 1/20 0.55
MAOA P21397 1/20 0.55
CNR1 P21554 1/20 0.55
PTGS1 P23219 1/20 0.55

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
SCHEMBL32665739 0.92 PDE3B (0.49) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL5795524 0.88 NOX1 (0.71) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL4173671 0.88 NOX1 (0.71) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL239282 0.86 NOX1 (0.63) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL3974421 0.83 NOX1 (0.65) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL30958692 0.81 NOX1 (0.52) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL239745 0.81 NOX1 (0.52) MAPTGAAL3MBTL1IDO1NOX1
Phenothiazine SCHEMBL27881746 0.80 NOX1 (0.77) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL17124545 0.78 NOX1 (0.52) MAPTGAAL3MBTL1IDO1NOX1
SCHEMBL28091291 0.78 NOX1 (0.64) MAPTGAAL3MBTL1IDO1NOX1

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-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS COATS STEVEN J 2008-12-25 US disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 US disclosed
US-20060148823-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US 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-20060148823-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 MAPT 1156/4885GAA 2394/4885L3MBTL1 2619/4885
US-20080318937-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 MAPT 1156/4885GAA 2394/4885L3MBTL1 2619/4885

“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.