SCHEMBL25812177

SCHEMBL25812177

CCNC(=O)c1cc2c(Cl)ccc(F)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
NUDT1 P36639 1/20 0.46
IDO1 P14902 3/20 0.45
TDO2 P48775 3/20 0.45
BRD4 O60885 11/20 0.43
HRH4 Q9H3N8 1/20 0.41
BRD2 P25440 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL25812182 0.90 ALOX15 (0.52) ALOX15NUDT1IDO1TDO2BRD4
SCHEMBL23836132 0.89 ALOX15 (0.52) ALOX15NUDT1BRD4
SCHEMBL24019764 0.81 ALOX15 (0.51) ALOX15IDO1TDO2HRH4
SCHEMBL25812300 0.80 ALOX15 (0.46) ALOX15NUDT1IDO1TDO2BRD4
SCHEMBL18990285 0.79 IDO1 (0.48) IDO1TDO2HRH4
SCHEMBL30310464 0.79 IDO1 (0.48) IDO1TDO2HRH4
SCHEMBL24740100 0.78 ALOX15 (0.58) ALOX15NUDT1HRH4
SCHEMBL24019771 0.78 ALOX15 (0.58) ALOX15NUDT1IDO1TDO2HRH4
SCHEMBL5357191 0.78 CDK1 (0.52) ALOX15IDO1TDO2HRH4
SCHEMBL22394891 0.78 IDO1 (0.65) IDO1TDO2HRH4

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 1 patent. 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

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 1455/4885NUDT1 4023/4885IDO1 1859/4885

“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.