SCHEMBL641063

SCHEMBL641063

COC(=O)C(C)n1c(=O)n(C(=O)O)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL642977 0.84 LMNA (0.44) LMNAL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL639733 0.80 MDM2 (0.44) LMNAL3MBTL1ALDH1A1HPGDMAPK1
SCHEMBL640529 0.79 LPAR1 (0.39) LMNAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL640324 0.78 MEN1 (0.41) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL640641 0.73 LMNA (0.37) LMNAL3MBTL1ALDH1A1HPGDMAPK1
SCHEMBL640150 0.71 MDM2 (0.46) LMNAL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL14631671 0.67 MAPT (0.43) LMNAALDH1A1HPGDHSD17B10TP53
SCHEMBL639820 0.67 LMNA (0.38) LMNAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31014344 0.65 NPSR1 (0.45) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL639940 0.65 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1HPGDTP53

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 LMNA 886/4885L3MBTL1 3180/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A LMNA 886/4885L3MBTL1 3180/4885ALDH1A1 586/4885

“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.