SCHEMBL321738

SCHEMBL321738

Cc1cnc(N(C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17162168 0.78 POLB (0.33) POLB
SCHEMBL4923675 0.77 RAB9A (0.40) ALDH1A1NPC1RAB9ATDP1KDM4E
SCHEMBL2489736 0.77 NOS3 (0.34)
SCHEMBL2241922 0.74 HDAC1 (0.42) ALDH1A1POLBKDM4EHDAC1HDAC6
SCHEMBL2491013 0.73 HCRTR1 (0.32) NPC1RAB9A
SCHEMBL15575141 0.72 HCAR3 (0.33) POLBRAB9AKDM4EKMT2A
SCHEMBL29034266 0.72 GBA1 (0.46) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL2499826 0.72 BACE1 (0.31)
SCHEMBL16210604 0.70 DGAT1 (0.40) ALDH1A1L3MBTL1HDAC1
SCHEMBL23630653 0.70 CYP2C9 (0.37) NPC1RAB9AKDM4EL3MBTL1MEN1

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
EP-1813613-B1 NOVEL FUSED IMIDAZOLE DERIVATIVE MSD KK (JP) 2012-12-19 EP disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8030327-B2 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle MDS K.K. (JP) 2011-10-04 US disclosed
US-20080103136-A1 Novel Fused Imidazole Derivative MSD K.K. (JP) 2008-05-01 US disclosed
EP-1813613-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20080103136-A1 Novel Fused Imidazole Derivative HRH4, H1-4, H1-3 ALDH1A1 1939/4885POLB 4662/4885NPC1 2197/4885

“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.