SCHEMBL258720

SCHEMBL258720

COc1ccc(-c2cn(C)c(CCl)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
WDR5 P61964 1/20 0.48
ALDH1A3 P47895 3/20 0.48
TLR8 Q9NR97 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 2/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL370818 0.85 RAB9A (0.50) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL259679 0.82 PDE10A (0.54) PDE10AWDR5ALDH1A3TLR8NPC1
SCHEMBL259105 0.82 PDE10A (0.48) PDE10AALDH1A3TLR8NPC1RAB9A
SCHEMBL258864 0.81 PDE10A (0.49) PDE10AALDH1A3TLR8NPC1RAB9A
SCHEMBL259076 0.80 PDE10A (0.52) PDE10A
Hydrochloric Acid SCHEMBL16972416 0.79 PDE10A (0.51) PDE10A
SCHEMBL19529676 0.77 ALDH1A3 (0.53) WDR5ALDH1A3TLR8NPC1RAB9A
SCHEMBL6609256 0.76 ALDH1A3 (0.51) WDR5ALDH1A3TLR8NPC1RAB9A
SCHEMBL28186684 0.76 TLR8 (0.61) WDR5ALDH1A3TLR8NPC1RAB9A
SCHEMBL259095 0.73 PDE10A (0.54) PDE10ATLR8GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2015-07-09 US disclosed
US-9018217-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-04-28 US disclosed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US disclosed
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US disclosed
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 EP disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US disclosed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 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 (4 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-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885WDR5 2486/4885ALDH1A3 643/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B PDE10A 1/4885WDR5 2486/4885ALDH1A3 643/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885WDR5 2486/4885ALDH1A3 643/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885WDR5 2486/4885ALDH1A3 643/4885

“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.