SCHEMBL8908145

SCHEMBL8908145

COC(=O)N[C@@H](Cn1cccn1)C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.42
FDPS P14324 1/20 0.40
TSHR P16473 2/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 3/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
AR P10275 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL304551 0.85 FDPS (0.43) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL304552 0.85 FDPS (0.43) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL14864693 0.85 FDPS (0.43) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL15867482 0.83 FDPS (0.42) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL888803 0.82 FDPS (0.41) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL10122821 0.82 FDPS (0.41) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL20263054 0.79 NLRP3 (0.41) NLRP3FDPSHTT
SCHEMBL20263052 0.79 NLRP3 (0.41) NLRP3FDPSHTT
SCHEMBL15867490 0.79 FDPS (0.45) NLRP3FDPSTSHRTHRBLMNA
SCHEMBL14864790 0.79 FDPS (0.45) NLRP3FDPSTSHRTHRBLMNA

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-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (5 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NLRP3 3035/4885FDPS 868/4885TSHR 4648/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NLRP3 1674/4885FDPS 327/4885TSHR 4689/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NLRP3 3037/4885FDPS 409/4885TSHR 4730/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 NLRP3 3556/4885FDPS 358/4885TSHR 4732/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NLRP3 3106/4885FDPS 718/4885TSHR 4619/4885

“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.