SCHEMBL639940

SCHEMBL639940

CC(C)(C)OC(=O)Cn1c(=O)n(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
CACNA1B Q00975 1/20 0.35
FPR2 P25090 1/20 0.35
KMO O15229 1/20 0.35
TP53 P04637 1/20 0.35
CCR9 P51686 2/20 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
SCHEMBL639520 0.90 LMNA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL18171783 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL642065 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL9094921 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL640640 0.78 LMNA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL641720 0.76 GABRG2 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL17830716 0.75 LMNA (0.53) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL16186523 0.74 IDO1 (0.62) ALDH1A1MEN1KMT2AKMOTP53
SCHEMBL318688 0.74 LMNA (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL18171826 0.73 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1

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 ALDH1A1 586/4885KDM4E 4508/4885HPGD 287/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885HPGD 287/4885

“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.