SCHEMBL25758892

SCHEMBL25758892

CC(C)NC(=O)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.59
PYGL P06737 6/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ROCK2 O75116 2/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
ROCK1 Q13464 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALPL P05186 2/20 0.40
DRD2 P14416 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL25853567 0.87 ALOX15 (0.45) ALOX15PYGLKDM4EALDH1A1MAPT
SCHEMBL13271499 0.84 ALOX15 (0.56) ALOX15PYGLKDM4EALDH1A1MAPT
SCHEMBL13271482 0.82 PYGL (0.48) ALOX15PYGLDRD2
SCHEMBL1201734 0.81 KDM4E (0.53) ALOX15PYGLKDM4EALDH1A1
SCHEMBL3136945 0.81 PYGL (0.44) ALOX15PYGLKDM4EALDH1A1MAPT
SCHEMBL2108592 0.80 PYGL (0.49) ALOX15PYGL
SCHEMBL2606823 0.80 PYGL (0.49) ALOX15PYGL
SCHEMBL13271671 0.79 CHEK1 (0.43) ALOX15PYGL
SCHEMBL4721594 0.79 CHEK1 (0.44) ALOX15PYGLKDM4EALDH1A1
SCHEMBL1201903 0.78 PYGL (0.44) ALOX15PYGLKDM4EMAPTRET

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 1455/4885PYGL 590/4885KDM4E 3122/4885

“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.