SCHEMBL22696809

SCHEMBL22696809

C#CC(C)(C)OC(=O)c1c(Cl)nc(Cl)n1[C@H](C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22696875 0.88 MEN1 (0.35) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL22697005 0.87 MEN1 (0.39) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL22696810 0.84 MEN1 (0.33) KMT2AMEN1MAPK1BRD4
SCHEMBL22696870 0.82 KMT2A (0.36) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL24283687 0.81 MAPK1 (0.46) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL21298740 0.81 MAPK1 (0.46) KMT2AMEN1MAPK1CYP1A2CYP3A4
SCHEMBL22696922 0.80 MAPK1 (0.40) ELANEKMT2AMEN1MAPK1CYP1A2
SCHEMBL28358501 0.78 MEN1 (0.44) KMT2AMEN1MAPK1LMNAALDH1A1
SCHEMBL24283657 0.78 MEN1 (0.44) KMT2AMEN1MAPK1LMNAALDH1A1
SCHEMBL24283624 0.78 CYP1A2 (0.50) KMT2AMEN1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 — — 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-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 ELANE 2857/4885KMT2A 574/4885MEN1 934/4885

“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.

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