SCHEMBL25758898

SCHEMBL25758898

COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.43
PDE4B Q07343 9/20 0.43
PDE4C Q08493 9/20 0.43
PDE4D Q08499 9/20 0.43
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
CNR1 P21554 1/20 0.38
LRRK2 Q5S007 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25758835 0.88 ALOX15 (0.42) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL24019690 0.80 ALOX15 (0.40) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL25758900 0.77 ALOX15 (0.40) POLBALDH1A1ALOX15KDM4ETAS1R3
SCHEMBL23836107 0.76 MAOB (0.55) TP53MAPTPOLBALDH1A1ALOX15
SCHEMBL25812244 0.75 LMNA (0.49) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL24028569 0.75 POLB (0.42) TP53POLBALDH1A1ALOX15HPGD
SCHEMBL24019960 0.74 ALOX15 (0.46) MAPTPOLBALDH1A1ALOX15KDM4E
SCHEMBL23836116 0.74 TSHR (0.46) MAPTPOLBALDH1A1ALOX15KDM4E
SCHEMBL22761573 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL23836105 0.73 KDM4E (0.52) MAPTPOLBALDH1A1ALOX15KDM4E

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 PDE4A 4097/4885PDE4B 3929/4885PDE4C 3430/4885

“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.