SCHEMBL642980

SCHEMBL642980

Cc1c(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)ccc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
EGLN1 Q9GZT9 7/20 0.37
SIRT2 Q8IXJ6 4/20 0.37
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3742277 0.87 ALDH1A1 (0.34) ALDH1A1EGLN1SIRT2LMNAALOX12
SCHEMBL7641514 0.82 P2RX7 (0.40) SIRT2KDM4E
SCHEMBL10014903 0.80 ALDH1A1 (0.43) ALDH1A1EGLN1LMNAPARP1MAPT
SCHEMBL12510626 0.79 SIRT2 (0.36) SIRT2LMNAKDM4E
SCHEMBL28146943 0.78 SIRT2 (0.36) SIRT2LMNAKDM4E
SCHEMBL1479176 0.77 NAPRT (0.47) ALDH1A1SIRT2LMNAKDM4E
SCHEMBL5682164 0.77 CYP11B1 (0.43) SIRT2
SCHEMBL2203209 0.76 CDC25B (0.46) ALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL3747991 0.74 NSD2 (0.44) ALDH1A1SIRT2MAPTKDM4E
SCHEMBL6958462 0.74 SIRT2 (0.34) ALDH1A1SIRT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119807-B2 Quinolynylmethylimidizoles as therapeutic agents ALLERGAN, INC. (US) 2012-02-21 US disclosed
EP-2296655-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2011-03-23 EP disclosed
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-7838545-B2 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2010-11-23 US disclosed
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-03-25 US disclosed
WO-2009140138-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 WO disclosed
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2009-07-09 US disclosed
WO-2008088937-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-24 WO disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
US-7396849-B2 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as α2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-08 US disclosed
EP-1791833-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS Allergan, Inc. (US) 2007-06-06 EP disclosed
WO-2006036497-A2 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. 2006-03-30 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-20060069144-A1 4-(Condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ADRB2, ADRA2C, ADRA2A ALDH1A1 277/4885EGLN1 3136/4885SIRT2 482/4885
US-20100076020-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS TUBB3, TUBB1, NQO2 ALDH1A1 899/4885EGLN1 3285/4885SIRT2 1620/4885
US-20090286829-A1 QUINOLYNYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ADRA2C, ADRA2B, ADRB3 ALDH1A1 1423/4885EGLN1 3889/4885SIRT2 3305/4885
US-20090176828-A1 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A ALDH1A1 270/4885EGLN1 3202/4885SIRT2 558/4885

“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.