SCHEMBL21118113

SCHEMBL21118113

CCCNS(=O)(=O)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CA1 P00915 5/20 0.55
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
PPARA Q07869 3/20 0.43
CA2 P00918 4/20 0.42
CA12 O43570 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HPGD P15428 2/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ARG1 P05089 1/20 0.33
NR1D1 P20393 1/20 0.33

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
SCHEMBL26053311 0.85 CA1 (0.58) ALDH1A1CA1HTTLMNAPPARA
SCHEMBL6816645 0.78
SCHEMBL4175850 0.77 ALDH1A1 (0.60) ALDH1A1CA1HTTLMNACA2
SCHEMBL3759352 0.77 ALDH1A1 (0.60) ALDH1A1CA1HTTLMNACA2
SCHEMBL4614428 0.77 ALDH1A1 (0.67) ALDH1A1CA1HTTLMNACA2
SCHEMBL7355629 0.77 ALDH1A1 (0.67) ALDH1A1CA1HTTLMNACA2
SCHEMBL4614425 0.77 ALDH1A1 (0.60) ALDH1A1CA1HTTLMNACA2
SCHEMBL11033708 0.77 ALDH1A1 (1.00) ALDH1A1CA1HTTLMNACA2
SCHEMBL5114807 0.77 ALDH1A1 (0.60) ALDH1A1CA1HTTLMNACA2
SCHEMBL13715429 0.77 ALDH1A1 (0.60) ALDH1A1CA1HTTLMNACA2

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-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
US-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2019-06-06 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-20190169140-A1 IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF IDO1, IDO2, INMT ALDH1A1 304/4885CA1 2399/4885HTT 1543/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR ALDH1A1 4414/4885CA1 4106/4885HTT 854/4885

“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.