SCHEMBL12359482

SCHEMBL12359482

CNS(=O)(=O)c1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.43
▸ BIRC2 Q13490 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ PNMT P11086 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PARG Q86W56 3/20 0.36
▸ TYMS P04818 1/20 0.36
▸ BRAF P15056 3/20 0.35
▸ TNNI3K Q59H18 3/20 0.35
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 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
SCHEMBL12512803 0.89 KDM4E (0.34) XIAPBIRC2BRD4LMNAKDM4E
SCHEMBL12359471 0.88 XIAP (0.40) XIAPPNMTMAPTKDM4ETYMS
SCHEMBL12512968 0.86 ALDH1A1 (0.33) MAPTKDM4ETYMSPKMALDH1A1
SCHEMBL12359566 0.81 XIAP (0.44) XIAPBIRC2TYMSBRAFTNNI3K
SCHEMBL12359461 0.81 TRPM5 (0.34) MAPTKDM4ETYMSKMT2AHDAC8
SCHEMBL12360005 0.80 KDM4E (0.44) BRD4MAPTKDM4EKMT2A
SCHEMBL3526848 0.79 HDAC1 (0.40) XIAPBIRC2MAPTKDM4EKMT2A
SCHEMBL12359554 0.78 POLB (0.43) POLBHDAC1HDAC6
SCHEMBL13229459 0.78 CDK9 (0.44) —
SCHEMBL12359464 0.78 HPGD (0.38) BRD4MAPTKDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 — — US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 — — US disclosed
EP-1945626-B1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2011-07-27 — — EP disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 — — US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 — — US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 — — US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 — — US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 — — US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 — — US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 — — 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-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A XIAP 3250/4885BIRC2 1393/4885BRD4 1099/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A XIAP 3250/4885BIRC2 1393/4885BRD4 1099/4885

“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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