Sugi Predict

Sugi Predict / Compounds / SCHEMBL8910369

SCHEMBL8910369

SCHEMBL8910369

CC(C)[C@H](Nc1cncnc1)C(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.37
▸ NPR3 P17342 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ NTRK1 P04629 1/20 0.30
▸ LMNA P02545 2/20 0.30

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
SCHEMBL8908911 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2FFAR2TSHR
SCHEMBL8907560 0.81 BCAT2 (0.36) BCAT2FFAR2HCAR2LRRK2
SCHEMBL890126 0.81 BCAT2 (0.36) BCAT2NPR3FFAR2TSHRHCAR2
SCHEMBL2160129 0.81 ALDH1A1 (0.41) BCAT2SMN1; SMN2GAAMAPTHCAR2
SCHEMBL756357 0.81 ALDH1A1 (0.41) BCAT2SMN1; SMN2GAAMAPTHCAR2
SCHEMBL2160122 0.81 ALDH1A1 (0.41) BCAT2SMN1; SMN2GAAMAPTHCAR2
SCHEMBL8185770 0.80 NPR3 (0.49) NPR3TRPA1MAPTLMNAPOLB
SCHEMBL19364698 0.77 BCAT2 (0.33) BCAT2SMN1; SMN2GAATSHRHCAR2
SCHEMBL8921088 0.77 MEN1 (0.37) BCAT2NPC1RAB9AHCAR2GRM5
SCHEMBL12977805 0.72 CCNA2 (0.31) —

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-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885NPR3 3735/4885L3MBTL1 2575/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 BCAT2 656/4885NPR3 4443/4885L3MBTL1 1834/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 BCAT2 1972/4885NPR3 3735/4885L3MBTL1 2575/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 BCAT2 1025/4885NPR3 4600/4885L3MBTL1 1418/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L BCAT2 505/4885NPR3 4429/4885L3MBTL1 1563/4885

“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.