SCHEMBL23835778

SCHEMBL23835778

CCCc1c(NN)cccc1C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ CXCR2 P25025 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX5 P09917 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
SCHEMBL25767922 0.81 MEN1 (0.42) ALDH1A1KDM4ECXCR2MEN1KMT2A
SCHEMBL25767923 0.76 PRKCZ (0.39) ALDH1A1KDM4EHTTTAS1R3TAS1R1
SCHEMBL25802048 0.72 ALDH1A1 (0.42) ALDH1A1PKMKDM4EHTTPTK2
SCHEMBL22800128 0.71 GABRA1 (0.44) —
SCHEMBL20094597 0.71 MAPT (0.45) ALDH1A1HTTTAS1R3TAS1R1MEN1
SCHEMBL9645439 0.69 SIRT1 (0.40) KDM4E
SCHEMBL2577569 0.69 KDM4E (0.41) ALDH1A1PKMKDM4EHTTMEN1
SCHEMBL12260795 0.68 MMP2 (0.55) ALDH1A1PKMKDM4EHTTCXCR2
SCHEMBL13180284 0.67 MEN1 (0.53) ALDH1A1PKMKDM4EHTTADRA1D
SCHEMBL18893268 0.67 ALDH1A1 (0.59) ALDH1A1PKMKDM4EHTTADRA1D

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-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-09-21 — — 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-11124497-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL ALDH1A1 1326/4885PKM 2843/4885KDM4E 3119/4885

“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.

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