SCHEMBL21335537

SCHEMBL21335537

CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(I)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
EPHX2 P34913 1/20 0.35
CTSK P43235 2/20 0.33
CACNA1H O95180 1/20 0.32
GAA P10253 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HCRTR2 O43614 1/20 0.30
HSD11B1 P28845 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
SCHEMBL18258105 0.82 NAMPT (0.38) NAMPTMEN1MAPK1KMT2ADPP8
Ammonia Solution, Strong SCHEMBL28412752 0.77 MEN1 (0.47) MEN1MAPK1KMT2AEPHX2CTSK
SCHEMBL22527319 0.73 KMT2A (0.35) NAMPTMEN1MAPK1KMT2AEPHX2
SCHEMBL9185202 0.72 KMT2A (0.46) NAMPTMEN1KMT2ADPP8DPP9
Ammonia Solution, Strong SCHEMBL9182347 0.72 KMT2A (0.45) NAMPTMEN1KMT2ADPP8DPP9
SCHEMBL31401115 0.72 KMT2A (0.39) NAMPTKMT2ADPP8DPP9CTSK
SCHEMBL6008976 0.72 KMT2A (0.39) NAMPTKMT2ADPP8DPP9CTSK
SCHEMBL22469098 0.71 BTK (0.35) NAMPTMEN1MAPK1KMT2AEPHX2
SCHEMBL22495106 0.71 BTK (0.35) NAMPTMEN1MAPK1KMT2AEPHX2
SCHEMBL30176798 0.71 BTK (0.35) NAMPTMEN1MAPK1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-10-27 US disclosed
US-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-10 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 (2 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-10407407-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 NAMPT 2553/4885MEN1 2711/4885MAPK1 2675/4885
US-10815218-B2 Benzoimidazole derivatives as PAD4 inhibitors PADI4, PADI1, PADI2 NAMPT 2553/4885MEN1 2711/4885MAPK1 2675/4885

“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.