SCHEMBL3383508

SCHEMBL3383508

NC(=O)c1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
POLB P06746 3/20 0.47
HCRTR1 O43613 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
LIMK1 P53667 2/20 0.46
IKBKB O14920 1/20 0.46
KDM4E B2RXH2 6/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP19A1 P11511 1/20 0.42
GLA P06280 1/20 0.41

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
SCHEMBL17395373 0.88 LIMK1 (0.50) ALDH1A1MAPTPOLBL3MBTL1LIMK1
SCHEMBL31626799 0.85 ALDH1A1 (0.48) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL29589251 0.85 ALDH1A1 (0.48) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL300219 0.85 ALDH1A1 (0.48) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL28533855 0.84 MAPT (0.47) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL28822530 0.84 ALDH1A1 (0.51) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL14943816 0.84 ALDH1A1 (0.50) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
Ammonia Solution, Strong SCHEMBL30382110 0.84 MAPT (0.47) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL10941770 0.83 LIMK1 (0.46) ALDH1A1MAPTPOLBHCRTR1L3MBTL1
SCHEMBL852095 0.83 MAOA (0.48) ALDH1A1MAPTPOLBHCRTR1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 ALDH1A1 927/4885MAPT 1747/4885POLB 2771/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 ALDH1A1 927/4885MAPT 1747/4885POLB 2771/4885

“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.