SCHEMBL22696807

SCHEMBL22696807

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.31
KLK7 P49862 2/20 0.31
BRD4 O60885 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABCB11 O95342 1/20 0.30
GABRA2 P47869 1/20 0.30
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 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
SCHEMBL22696878 0.87 MEN1 (0.36) MEN1KMT2AALDH1A1MAPK1KLK7
SCHEMBL22696874 0.84 KMT2A (0.37) MEN1KMT2AALDH1A1MAPK1KLK7
SCHEMBL22696810 0.82 MEN1 (0.33) MEN1KMT2AMAPK1BRD4
SCHEMBL24966931 0.81 ALDH1A1 (0.33) ALDH1A1MAPK1BRD4CYP1A2CYP3A4
SCHEMBL22696920 0.81 MAPK1 (0.38) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL22696808 0.79 CYP1A2 (0.39) MEN1KMT2AMAPK1KLK7CYP1A2
SCHEMBL21298740 0.78 MAPK1 (0.46) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL24283687 0.78 MAPK1 (0.46) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL22697006 0.78 MEN1 (0.38) MEN1KMT2AALDH1A1MAPK1KLK7
SCHEMBL22696870 0.78 KMT2A (0.36) MEN1KMT2AALDH1A1MAPK1BRD4

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 MEN1 934/4885KMT2A 574/4885ALDH1A1 396/4885

“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.