SCHEMBL3179987

SCHEMBL3179987

Cn1cc(-c2ccccc2)nc1C(S)c1cn2cccnc2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
KDM4E B2RXH2 10/20 0.59
HPGD P15428 6/20 0.59
GLA P06280 4/20 0.59
HSD17B10 Q99714 3/20 0.59
PDE10A Q9Y233 2/20 0.54
RAB9A P51151 10/20 0.49
NPC1 O15118 8/20 0.49
GAA P10253 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL259117 0.81 PDE10A (0.51) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL260196 0.79 NPC1 (0.61) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL15419143 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL3671367 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL259372 0.72 PDE10A (0.58) KDM4EPDE10ANPC1SMN1; SMN2TP53
SCHEMBL259862 0.71 PDE10A (0.56) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL259661 0.70 PDE10A (0.53) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL258900 0.70 PDE10A (0.53) ALDH1A1KDM4EHPGDHSD17B10PDE10A
SCHEMBL260106 0.70 PDE10A (1.00) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL260108 0.69 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGLAHSD17B10

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-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US claimed
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 EP claimed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US claimed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US claimed
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

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 ALDH1A1 65/4885KDM4E 356/4885HPGD 1196/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885HPGD 1196/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885HPGD 1196/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B ALDH1A1 65/4885KDM4E 356/4885HPGD 1196/4885

“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.