SCHEMBL2193341

SCHEMBL2193341

O=C(OCc1ccccc1)N1CCCC1c1nc2cc(I)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.46
GRIN2B Q13224 1/20 0.46
PRCP P42785 4/20 0.45
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
PREP P48147 1/20 0.42

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
SCHEMBL1045345 1.00 AADAT (0.46) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL935143 0.97 TMEM97 (0.47) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL2192836 0.97 TMEM97 (0.47) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL12509691 0.90 AADAT (0.47) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL13191114 0.89 GRIN2B (0.48) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL3213021 0.89 HCRTR1 (0.50) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL3213036 0.89 HCRTR1 (0.50) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL933934 0.88 AADAT (0.46) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL12509784 0.88 TMEM97 (0.49) AADATGRIN2BPRCPHCRTR1HCRTR2
SCHEMBL12798600 0.87 USP30 (0.50) GRIN2BPRCPHCRTR1HCRTR2

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-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-8765731-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-20 US disclosed
US-8354419-B2 Benzimidazole analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-15 US disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 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 (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-20140243257-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 AADAT 2657/4885GRIN2B 1588/4885PRCP 2425/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 AADAT 2657/4885GRIN2B 1588/4885PRCP 2425/4885
US-20130157997-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 AADAT 2657/4885GRIN2B 1588/4885PRCP 2425/4885

“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.