SCHEMBL642065

SCHEMBL642065

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CACNA1B Q00975 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31

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
SCHEMBL641720 0.90 GABRG2 (0.45) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL639940 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL641509 0.78 MEN1 (0.39) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL639520 0.76 LMNA (0.46) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL18171826 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1CACNA1B
SCHEMBL18171783 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EGABRG2GABRB3GABRA5
SCHEMBL18171825 0.72 GRM2 (0.51) ALDH1A1KDM4EKMT2AMEN1CACNA1B
SCHEMBL18171779 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL639896 0.69 GABRG2 (0.44) ALDH1A1GABRG2GABRB3GABRA5KMT2A
SCHEMBL18171809 0.69 CYP1A2 (0.59) ALDH1A1KDM4EKMT2AMEN1NPC1

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 4 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

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 4508/4885GABRG2 1782/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885GABRG2 1782/4885

“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.