SCHEMBL8921088

SCHEMBL8921088

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
BCAT2 O15382 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
PSMB5 P28074 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CCNA2 P20248 3/20 0.30
CDK2 P24941 3/20 0.30
CCNA1 P78396 3/20 0.30
CDK5 Q00535 3/20 0.30
DYRK1A Q13627 3/20 0.30
CDK5R1 Q15078 3/20 0.30
LRRK2 Q5S007 1/20 0.30
GRM5 P41594 1/20 0.30
HPGD P15428 1/20 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
SCHEMBL8917351 0.81 RAB9A (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2160129 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1BCAT2HCAR2
SCHEMBL890126 0.81 BCAT2 (0.36) ALDH1A1BCAT2HCAR2DYRK1ALRRK2
SCHEMBL8907560 0.81 BCAT2 (0.36) ALDH1A1BCAT2HCAR2DYRK1ALRRK2
SCHEMBL756357 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1BCAT2HCAR2
SCHEMBL2160122 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1BCAT2HCAR2
SCHEMBL19364698 0.77 BCAT2 (0.33) BCAT2HCAR2LRRK2HPGD
SCHEMBL8910369 0.77 BCAT2 (0.37) MEN1KMT2ABCAT2NPC1RAB9A
SCHEMBL8185770 0.73 NPR3 (0.49) KMT2A
SCHEMBL12977805 0.72 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 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 (1 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 MEN1 4801/4885KMT2A 2014/4885ALDH1A1 287/4885

“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.