SCHEMBL25758900

SCHEMBL25758900

COc1c(Cl)ccc2[nH]c(C(=O)NC(C)C)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.38
CNR2 P34972 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGLN1 Q9GZT9 4/20 0.37
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ALPL P05186 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
SYK P43405 1/20 0.35
RORC P51449 1/20 0.35
RHEB Q15382 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24019690 0.82 ALOX15 (0.40) ALOX15POLBALDH1A1EGLN1SMN1; SMN2
SCHEMBL25758898 0.77 PDE4A (0.43) ALOX15POLBKDM4EALDH1A1TAS1R3
SCHEMBL25758835 0.77 ALOX15 (0.42) ALOX15POLBEGLN1ALPLSMN1; SMN2
SCHEMBL24740638 0.76 ALOX15 (0.42) ALOX15POLBCNR2KDM4EEGLN1
SCHEMBL23836107 0.76 MAOB (0.55) ALOX15POLBCNR2KDM4EALDH1A1
SCHEMBL25758887 0.75 EGLN1 (0.37) ALOX15POLBEGLN1
SCHEMBL24019958 0.75 HRH4 (0.53) ALOX15POLBALDH1A1EGLN1ALPL
SCHEMBL24019960 0.74 ALOX15 (0.46) ALOX15POLBKDM4EALDH1A1EGLN1
SCHEMBL24019698 0.73 ALOX15 (0.37) ALOX15POLBEGLN1CYP2C9SYK
SCHEMBL24028985 0.73 ALOX15 (0.53) ALOX15POLBKDM4EALDH1A1TAS1R3

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 ALOX15 1455/4885POLB 2188/4885CNR2 2191/4885

“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.