SCHEMBL25758852

SCHEMBL25758852

CC(C)NC(=O)c1cc2c(C#N)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RCE1 Q9Y256 1/20 0.51
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
ALB P02768 1/20 0.42
IL2 P60568 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL22620591 0.82 KIF11 (0.43) MEN1KMT2ARCE1ALDH1A1LMNA
SCHEMBL24019963 0.81 MEN1 (0.55) MEN1KMT2ARCE1ALOX15SMN1; SMN2
SCHEMBL24019707 0.81 MEN1 (0.55) MEN1KMT2ARCE1ALOX15LMNA
SCHEMBL24019955 0.80 ALOX15 (0.57) MEN1KMT2ARCE1ALOX15SMN1; SMN2
SCHEMBL24019693 0.80 ALB (0.60) MEN1KMT2ARCE1ALOX15ALB
SCHEMBL15506643 0.79 KDM4E (0.53) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL23836099 0.78 KMT2A (0.77) MEN1KMT2ARCE1LMNASMN1; SMN2
SCHEMBL24019680 0.78 MEN1 (0.53) MEN1KMT2ARCE1ALOX15SMN1; SMN2
SCHEMBL29063172 0.77 SLC9A1 (0.41) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL15506796 0.77 TAS1R3 (0.47) ALDH1A1LMNASMN1; SMN2KDM4ETAS1R3

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
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 3383/4885RCE1 51/4885

“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.