SCHEMBL25758899

SCHEMBL25758899

COc1cc(Cl)c2[nH]c(C(=O)NC(C)C)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
RAB9A P51151 4/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ALOX15 P16050 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL25768666 0.89 NPC1 (0.45) RAB9APOLBNPC1HPGDKDM4E
SCHEMBL24028569 0.77 POLB (0.42) POLBHPGDALDH1A1ALOX15TP53
SCHEMBL24019691 0.76 ALOX15 (0.51) HPGDSRAB9ANPC1KDM4EALDH1A1
SCHEMBL14818812 0.73 TYK2 (0.43) HPGDSRAB9ANPC1HPGDKDM4E
SCHEMBL25758898 0.72 PDE4A (0.43) POLBHPGDKDM4EALDH1A1ALOX15
SCHEMBL25758835 0.71 ALOX15 (0.42) POLBEGLN1ALOX15SMN1; SMN2TP53
SCHEMBL1285923 0.71 KDM4E (0.43) RAB9APOLBNPC1KDM4EALDH1A1
SCHEMBL23836116 0.71 TSHR (0.46) RAB9APOLBNPC1HPGDKDM4E
SCHEMBL23836108 0.69 ALOX15 (0.56) RAB9APOLBNPC1ALDH1A1GAA
SCHEMBL24019958 0.67 HRH4 (0.53) POLBALDH1A1GAAEGLN1ALOX15

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 HPGDS 766/4885RAB9A 2344/4885POLB 2188/4885

“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.