SCHEMBL13122022

SCHEMBL13122022

Cc1nc2cc(C3CCC(c4ccc5[nH]c(C)nc5c4)CC3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ TLR9 Q9NR96 9/20 0.43
▸ TLR8 Q9NR97 9/20 0.43
▸ TLR7 Q9NYK1 9/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL23010427 0.91 TLR9 (0.54) CHRNB2CHRNA4TLR9TLR8TLR7
SCHEMBL22860348 0.88 TLR9 (0.50) CHRNB2CHRNA4TLR9TLR8TLR7
SCHEMBL13122023 0.83 CHRNB2 (0.41) CHRNB2CHRNA4TLR9TLR8TLR7
SCHEMBL16307581 0.78 TLR9 (0.51) CHRNB2CHRNA4TLR9TLR8TLR7
SCHEMBL16307905 0.76 ALDH1A1 (0.47) CHRNB2CHRNA4ALDH1A1FGFR1FGFR2
SCHEMBL15165787 0.75 FGFR1 (0.56) TLR9TLR8TLR7ALDH1A1FGFR1
SCHEMBL16188993 0.75 PKM (0.54) TLR9TLR8TLR7
SCHEMBL2595517 0.74 TLR9 (0.48) TLR9TLR8TLR7NPC1RAB9A
SCHEMBL16655618 0.74 ALDH1A1 (0.38) CHRNB2CHRNA4ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL16176984 0.74 PKM (0.56) TLR9TLR8TLR7POLBKMT2A

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-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 — — US disclosed
US-20140364616-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (IL) 2014-12-11 — — US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 — — US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 — — US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 — — 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-20140364616-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CHRNB2 4882/4885CHRNA4 4872/4885TLR9 1943/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CHRNB2 4881/4885CHRNA4 4794/4885TLR9 2184/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CHRNB2 4881/4885CHRNA4 4794/4885TLR9 2184/4885

“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.

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