SCHEMBL640386

SCHEMBL640386

N#Cc1ccc2[nH]c(=O)n(-c3ccccc3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
HSP90AA1 P07900 4/20 0.40
FASN P49327 1/20 0.37
AURKA O14965 1/20 0.37
KMO O15229 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
TDP2 O95551 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL640118 0.82 AURKA (0.49) PGRHSP90AA1AURKAKDM4EL3MBTL1
SCHEMBL641540 0.82 HSP90AA1 (0.42) PGRHSP90AA1AURKAL3MBTL1MEN1
SCHEMBL639519 0.81 HSP90AA1 (0.55) HSP90AA1AURKAKDM4EMEN1KMT2A
SCHEMBL638525 0.80 PGR (0.38) PGRAURKAKMOLRRK2TDP2
SCHEMBL640677 0.79 HSP90AA1 (0.44) HSP90AA1L3MBTL1MEN1KMT2AKCNH2
SCHEMBL641065 0.75 MEN1 (0.60) PGRHSP90AA1KDM4EL3MBTL1MEN1
SCHEMBL5440331 0.71 AKT2 (0.68) PGRHSP90AA1LRRK2MEN1KMT2A
SCHEMBL639665 0.70 MMP2 (0.44) HTR6
SCHEMBL5794772 0.69 POLB (0.47) PGRKDM4EPOLBL3MBTL1MEN1
SCHEMBL639582 0.68 PGR (0.42) PGRFASNTDP2POLBMEN1

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 6 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
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 PGR 1436/4885HSP90AA1 371/4885FASN 4834/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PGR 1436/4885HSP90AA1 371/4885FASN 4834/4885

“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.