SCHEMBL260882

SCHEMBL260882

Cc1cc(C)n2cc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 10/20 0.60
HPGD P15428 7/20 0.60
KLK7 P49862 1/20 0.59
PDE10A Q9Y233 5/20 0.55
MAPT P10636 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HKDC1 Q2TB90 1/20 0.50
RCE1 Q9Y256 1/20 0.50
HSD17B10 Q99714 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL14124013 0.76 TSHR (0.63) KDM4EALDH1A1HPGDPDE10ASMN1; SMN2
SCHEMBL16672166 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDKLK7PDE10A
Hydrochloric Acid SCHEMBL259236 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDKLK7PDE10A
SCHEMBL9880653 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDKLK7PDE10A
SCHEMBL258816 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDKLK7PDE10A
SCHEMBL5814590 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDKLK7PDE10A
SCHEMBL5814589 0.72 KDM4E (0.60) KDM4EALDH1A1HPGDKLK7PDE10A
Hydrochloric Acid SCHEMBL259782 0.71 KDM4E (0.59) KDM4EALDH1A1HPGDKLK7PDE10A
SCHEMBL11199192 0.70 SMN1; SMN2 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9814521 0.67 SMN1; SMN2 (0.44) KDM4EALDH1A1HPGDRAB9ANPC1

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-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-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-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 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 (3 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 KDM4E 356/4885ALDH1A1 65/4885HPGD 1196/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B KDM4E 356/4885ALDH1A1 65/4885HPGD 1196/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B KDM4E 356/4885ALDH1A1 65/4885HPGD 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.