SCHEMBL25767922

SCHEMBL25767922

CCCc1c(NN)cccc1C(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CXCR5 P32302 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ APEX1 P27695 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
SCHEMBL23835778 0.81 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1CXCR2
SCHEMBL22928227 0.71 ALDH1A1 (0.38) KMT2AKDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL20094597 0.71 MAPT (0.45) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL12310842 0.69 MMP2 (0.56) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL6748722 0.69 MAPT (0.61) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL2577569 0.69 KDM4E (0.41) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL9645439 0.69 SIRT1 (0.40) KDM4EPOLBCNR2LMNA
SCHEMBL13958739 0.67 KDM4E (0.55) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL13669850 0.67 MAPT (0.51) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL11566164 0.67 ALDH1A1 (0.53) MEN1KMT2AMAPTKDM4EPOLB

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 — — 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 (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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV MEN1 4306/4885KMT2A 3383/4885MAPT 2314/4885

“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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