SCHEMBL24019697

SCHEMBL24019697

CC(C)NC(=O)c1cc2c([nH]1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.52
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL25853661 0.87 HRH4 (0.47) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17149705 0.84 MEN1 (0.51) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17149686 0.84 MEN1 (0.51) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21207724 0.82 HRH4 (0.48) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7047669 0.80 HRH4 (0.55) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL20345515 0.80 HRH4 (0.55) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL21975324 0.79 HRH4 (0.54) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15101736 0.79 HRH4 (0.54) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10263261 0.78 HRH4 (0.59) HRH4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1423043 0.77 ALDH1A1 (0.65) HRH4ALDH1A1HPGDHSD17B10KDM4E

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 3 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
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 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 (2 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL HRH4 4013/4885ALDH1A1 2252/4885HPGD 1608/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV HRH4 4259/4885ALDH1A1 1863/4885HPGD 1219/4885

“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.