SCHEMBL25768680

SCHEMBL25768680

C=N/C(=C\c1cc(C(=O)NC(C)C)[nH]c1C)OCCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL25669794 0.68 HRH3 (0.50) L3MBTL1HRH3ALDH1A1KDM4EHPGD
SCHEMBL24739970 0.66 KDM4E (0.48) HRH3ALDH1A1KDM4EPPARGMAPT
SCHEMBL24449992 0.66 DRD2 (0.50) HRH3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL25768176 0.65 HRH3 (0.43) HRH3ALDH1A1KDM4EHPGDKMT2A
SCHEMBL63719 0.61 TDP1 (0.54) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL12363731 0.61 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL23803397 0.60 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL23803399 0.60 ALDH1A1 (0.56) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL9244959 0.60 ALDH1A1 (0.52) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL24019835 0.60 ALOX15 (0.49) L3MBTL1ALDH1A1KDM4EHPGDLMNA

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 L3MBTL1 544/4885HRH3 3510/4885ALDH1A1 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.

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