SCHEMBL25758846

SCHEMBL25758846

CC(C)NC(=O)c1[nH]c2cc(Br)ccc2c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR17 Q13304 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL20534662 0.85 EIF4A3 (0.46) EIF4A3ALDH1A1GPR17KDM4EGAA
SCHEMBL24113129 0.82 MAPT (0.48) EIF4A3ALDH1A1NPC1SMN1; SMN2GPR17
SCHEMBL20534734 0.78 EIF4A3 (0.61) EIF4A3GPR17RXFP1MEN1KMT2A
SCHEMBL29062814 0.77 GPR17 (0.47) EIF4A3ALDH1A1GPR17KDM4EGAA
SCHEMBL20535547 0.76 ALOX15 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2GPR17
SCHEMBL25758848 0.70 ALOX15 (0.70)
SCHEMBL20571055 0.70 ALDH1A1 (0.50) ALDH1A1NPC1SMN1; SMN2GPR17KDM4E
SCHEMBL3345916 0.69 DGAT1 (0.54) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL29678027 0.69 GPR17 (0.48) ALDH1A1GPR17KDM4EGAARXFP1
SCHEMBL21958139 0.69 GPR17 (0.48) ALDH1A1GPR17KDM4EGAARXFP1

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 EIF4A3 582/4885TDP1 1942/4885ALDH1A1 1863/4885

“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.