SCHEMBL25802048

SCHEMBL25802048

C/C=C\c1c(NN)cccc1C(=O)NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ PTK2 Q05397 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ CXCR5 P32302 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL25782679 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL23835778 0.72 ALDH1A1 (0.42) ALDH1A1PKMKDM4EHTTKMT2A
SCHEMBL21947223 0.71 L3MBTL1 (0.39) POLBCYP3A4LMNACYP1A2
SCHEMBL103927 0.69 ALDH1A1 (0.70) ALDH1A1PKMKDM4EHTTSMN1; SMN2
SCHEMBL12260795 0.68 MMP2 (0.55) ALDH1A1PKMKDM4EHTTKMT2A
SCHEMBL18893268 0.67 ALDH1A1 (0.59) ALDH1A1PKMKDM4EHTTKMT2A
SCHEMBL13761443 0.67 KDM4E (0.59) ALDH1A1PKMKDM4EHTTKMT2A
Isopropylamine SCHEMBL28751719 0.66 ALDH1A1 (0.66) ALDH1A1PKMKDM4EHTTSMN1; SMN2
SCHEMBL5674044 0.65 IRAK4 (0.53) ALDH1A1PKMKDM4EHTTKMT2A
SCHEMBL3194752 0.65 ALOX5 (0.49) ALDH1A1PKMKDM4EHTTSMN1; SMN2

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 ALDH1A1 1863/4885PKM 2707/4885KDM4E 3122/4885

“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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