SCHEMBL3150862

SCHEMBL3150862

CC(=O)c1ccc(Cl)nc1.Clc1ccc(Cl)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.60
▸ DGAT1 O75907 2/20 0.50
▸ RAB9A P51151 7/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ KCNE1 P15382 1/20 0.44
▸ KCNQ1 P51787 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MDM4 O15151 1/20 0.43

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
SCHEMBL29592337 0.94 NAPRT (0.67) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL213163 0.94 NAPRT (0.67) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL8126157 0.82 NAPRT (0.53) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL1742846 0.79 NAPRT (0.53) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
Morpholine SCHEMBL27536575 0.77 NAPRT (0.47) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL7440808 0.77 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL5272361 0.77 NAPRT (0.59) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL17801 0.77 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
SCHEMBL29760376 0.77 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2MAPT
6-Chloronicotinic Acid SCHEMBL17541528 0.76 NAPRT (0.92) NAPRTDGAT1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 — — US disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 — — US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 — — US disclosed
EP-2081572-B1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 — — EP disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 — — US disclosed
EP-2081572-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 — — EP disclosed
WO-2008003665-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2008-01-10 — — 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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 NAPRT 1435/4885DGAT1 644/4885RAB9A 1686/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 NAPRT 1435/4885DGAT1 644/4885RAB9A 1686/4885

“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.

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