SCHEMBL24040862

SCHEMBL24040862

CC(C)NC(=O)CN(C)C=N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 2/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 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
SCHEMBL23475900 0.76 MEN1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL7725268 0.76 MEN1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL13118697 0.72 KMT2A (0.41) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL19414066 0.72 KMT2A (0.41) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL22035847 0.71 MEN1 (0.44) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL22822397 0.71 MEN1 (0.39) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL24040864 0.71 CA1 (0.44) MEN1KMT2AFAAHMAPK1CA1
SCHEMBL29952827 0.71 TSHR (0.38) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL22175506 0.70
SCHEMBL17190627 0.69 KMT2A (0.38) TSHRMEN1KMT2AFAAHMAPK1

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-11180504-B2 Substituted carbapenems for the treatment of bacterial infections ORCHID PHARMA LTD. (IN) 2021-11-23 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-11180504-B2 Substituted carbapenems for the treatment of bacterial infections SLC11A2, GSK3B, GSK3A TSHR 4217/4885MEN1 2589/4885KMT2A 1380/4885

“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.