SCHEMBL641660

SCHEMBL641660

O=C(O)Cn1c(=O)[nH]c2ccc(I)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.47
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
APEX1 P27695 1/20 0.40
PGR P06401 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL640508 0.82 CBX7 (0.58) B3GNT2GRIN1GRIN2BGRIA1GRIA2
SCHEMBL4629626 0.82 B3GNT2 (0.47) B3GNT2GRIN1GRIN2BGRIA1GRIA2
SCHEMBL2255490 0.78 MEN1 (0.62) APEX1KDM4EALDH1A1HPGDMEN1
SCHEMBL640059 0.74 SMN1; SMN2 (0.46) KDM4EALDH1A1
SCHEMBL18554543 0.73 PDE5A (0.46) GRIN1GRIN2BGRIA1GRIA2GRIA3
SCHEMBL625481 0.70 LMNA (0.56) PGRKDM4EMEN1KMT2ADAO
SCHEMBL8892758 0.70 L3MBTL1 (0.46) APEX1KDM4EALDH1A1MEN1KMT2A
SCHEMBL639685 0.70 GABRA1 (0.43) KDM4EALDH1A1MEN1KMT2ADAO
SCHEMBL28782945 0.69 DAO (0.42) B3GNT2CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL641539 0.68 TP53 (0.42) B3GNT2PGRDAO

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
CN-101528712-B Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG 2013-10-30 CN disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A B3GNT2 3014/4885GRIN1 1481/4885GRIN2B 1781/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A B3GNT2 3014/4885GRIN1 1481/4885GRIN2B 1781/4885

“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.