SCHEMBL4664610

SCHEMBL4664610

CN(C)C(=O)c1cc(OCc2ccccc2)c2nc(C(F)(F)F)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.40
LRRK2 Q5S007 1/20 0.40
SRD5A2 P31213 2/20 0.40
SRD5A1 P18405 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
CACNA1B Q00975 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
RHEB Q15382 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL4662880 0.85 BRD4 (0.50) BRD4LRRK2SRD5A2SRD5A1NPC1
SCHEMBL4662927 0.84 BRD4 (0.48) BRD4LRRK2SRD5A2SRD5A1NPC1
SCHEMBL4663172 0.83 BRD4 (0.47) BRD4LRRK2SRD5A2SRD5A1NPC1
SCHEMBL4663183 0.81 MCHR1 (0.48) BRD4LRRK2SRD5A2SRD5A1NPC1
SCHEMBL4663154 0.80 PTGER1 (0.40) SRD5A2SRD5A1NPC1RAB9ASMN1; SMN2
SCHEMBL30501981 0.78 BRD4 (0.48) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4666497 0.76 BRD4 (0.47) BRD4LRRK2SRD5A2SRD5A1NPC1
SCHEMBL3267227 0.76 BRD4 (0.45) BRD4LRRK2NPC1HPGDRAB9A
SCHEMBL4663143 0.76 HDAC4 (0.35) NPC1RAB9AACSS2
SCHEMBL1942215 0.73 BRD4 (0.44) BRD4LRRK2HPGDSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR BRD4 85/4885GPBAR1 197/4885LRRK2 3602/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI BRD4 1068/4885GPBAR1 56/4885LRRK2 3447/4885

“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.