SCHEMBL4662880

SCHEMBL4662880

Cc1nc2c(OCc3ccccc3)cc(C(=O)N(C)C)cc2n1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
SRD5A2 P31213 2/20 0.43
LRRK2 Q5S007 1/20 0.43
SRD5A1 P18405 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
RHEB Q15382 1/20 0.40
APP P05067 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL30501981 0.87 BRD4 (0.48) BRD4LRRK2NPC1RAB9AHPGD
SCHEMBL4662927 0.87 BRD4 (0.48) BRD4SRD5A2LRRK2SRD5A1NPC1
SCHEMBL4663172 0.86 BRD4 (0.47) BRD4SRD5A2LRRK2SRD5A1NPC1
SCHEMBL5901876 0.86 CYP3A4 (0.39) BRD4HPGDALDH1A1
SCHEMBL5901935 0.86 HPGD (0.51) SRD5A2SRD5A1NPC1RAB9AHPGD
SCHEMBL4664610 0.85 BRD4 (0.47) BRD4SRD5A2LRRK2SRD5A1NPC1
SCHEMBL4666497 0.85 BRD4 (0.47) BRD4SRD5A2LRRK2SRD5A1NPC1
SCHEMBL5901336 0.85 PPIA (0.47) SRD5A2SRD5A1NPC1RAB9AHPGD
SCHEMBL4663183 0.85 MCHR1 (0.48) BRD4SRD5A2LRRK2SRD5A1NPC1
SCHEMBL3267227 0.83 BRD4 (0.45) BRD4LRRK2NPC1RAB9AHPGD

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-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
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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 (3 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 85/4885SRD5A2 1668/4885LRRK2 3602/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI BRD4 504/4885SRD5A2 469/4885LRRK2 2983/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI BRD4 1068/4885SRD5A2 2674/4885LRRK2 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.