SCHEMBL25812301

SCHEMBL25812301

CCNC(=O)c1cc2c(C(F)(F)F)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
CBLB Q13191 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NUDT1 P36639 1/20 0.43
BRD4 O60885 2/20 0.43
AR P10275 1/20 0.42

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
SCHEMBL24740345 0.82 MEN1 (0.51) ALOX15CBLBKDM4EAR
SCHEMBL24739968 0.81 POLB (0.53) ALOX15NPC1POLBRAB9AKDM4E
SCHEMBL23836114 0.81 GRIN2D (0.56) ALOX15NPC1POLBRAB9AGRIN2D
SCHEMBL24740807 0.81 FLT3 (0.51) ALOX15NPC1POLBRAB9AGRIN2D
SCHEMBL25768284 0.80 ALOX15 (0.57) ALOX15NPC1POLBRAB9AGRIN2D
SCHEMBL30396884 0.80 ABL1 (0.46) CBLBKDM4E
SCHEMBL147953 0.80 HRH4 (0.52) ALOX15NPC1POLBRAB9AGRIN2D
SCHEMBL24190146 0.80 ABL1 (0.46) CBLBKDM4E
SCHEMBL700154 0.79 KDM4E (0.51) ALOX15NPC1RAB9AKDM4EAR
SCHEMBL30310641 0.79 KDM4E (0.51) ALOX15NPC1RAB9AKDM4EAR

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 1455/4885NPC1 481/4885POLB 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.