SCHEMBL4968418

SCHEMBL4968418

CC(C)(C)c1nc2cc(NC(=O)O)ccc2n1CCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GLA P06280 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 2/20 0.47
TERT O14746 2/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL14116539 0.90 LMNA (0.48) KDM4ESMN1; SMN2GLAHSD17B10NPC1
SCHEMBL4968387 0.85 MEN1 (0.41) KDM4ESMN1; SMN2GLAHSD17B10NPC1
SCHEMBL4968535 0.81 CNR2 (0.47) KDM4ESMN1; SMN2GLAHSD17B10NPC1
SCHEMBL4967003 0.81 CNR2 (0.47) KDM4ESMN1; SMN2GLAHSD17B10NPC1
SCHEMBL3920731 0.81 CNR2 (0.61)
SCHEMBL5432077 0.80 CNR2 (0.45)
SCHEMBL4965882 0.78 PAX8 (0.50) SMN1; SMN2HTTRAB9AKMT2ALMNA
SCHEMBL13605817 0.77 NPSR1 (0.44) MAPTMAPK1
SCHEMBL13605820 0.77 CNR2 (0.42)
SCHEMBL4966065 0.77 CNR2 (0.45) KDM4EGLAHSD17B10MAPTMEN1

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
EP-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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 (1 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 KDM4E 1841/4885SMN1; SMN2 1918/4885GLA 3394/4885

“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.