SCHEMBL4664889

SCHEMBL4664889

Cc1nc2c([N+](=O)[O-])cc(Br)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1B1 P15121 1/20 0.37
DCTPP1 Q9H773 2/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
ERN1 O75460 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S100A4 P26447 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
EGFR P00533 1/20 0.33
GPR35 Q9HC97 2/20 0.33

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
SCHEMBL5902140 0.86 LMNA (0.41) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL5901505 0.81 CSNK2A2 (0.39) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL5901561 0.80 MAPT (0.36) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL5901223 0.78 LMNA (0.35) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL31047533 0.77 CA1 (0.40) MAPTKDM4EKMT2AERN1RAB9A
SCHEMBL18164342 0.76 KCNH2 (0.41) LMNAMAPTDCTPP1
SCHEMBL5901211 0.75 ALDH1A1 (0.47) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL4633246 0.75 LMNA (0.42) LMNAMAPTHTTNPSR1KDM4E
SCHEMBL1281336 0.75 DCTPP1 (0.61) MAPTDCTPP1KMT2AMEN1L3MBTL1
SCHEMBL25105335 0.75 NQO2 (0.41) LMNAMAPTKDM4ECYP1A2NPC1

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 8 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-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 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
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO 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 LMNA 4634/4885MAPT 4780/4885HTT 3800/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI LMNA 4583/4885MAPT 4865/4885HTT 3165/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI LMNA 3885/4885MAPT 4866/4885HTT 3370/4885

“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.