SCHEMBL25782833

SCHEMBL25782833

CNC(=O)c1nc2c(OC)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
ADORA2A P29274 1/20 0.57
HPSE Q9Y251 2/20 0.53
HPGDS O60760 1/20 0.51
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CBFB Q13951 1/20 0.46
PARP1 P09874 3/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL23836107 0.86 MAOB (0.55) MAOBADORA2AHPSEHPGDSALDH1A1
SCHEMBL6952303 0.84 MAOB (0.54) MAOBADORA2AHPSEALDH1A1SMN1; SMN2
SCHEMBL30402898 0.84 MAOB (0.58) MAOBADORA2AHPSEALDH1A1SMN1; SMN2
SCHEMBL11738344 0.82 MAOB (0.53) MAOBADORA2AHPSEALDH1A1SMN1; SMN2
SCHEMBL7475827 0.82 PKN1 (0.57) PARP1PKN1PKN2KDM4EKMT2A
SCHEMBL7427217 0.81 HRH4 (0.56) HPSEALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL24740174 0.80 MAOB (0.51) MAOBADORA2AHPSEALDH1A1SMN1; SMN2
SCHEMBL23835766 0.80 MAOB (0.51) MAOBADORA2AHPSEALDH1A1SMN1; SMN2
SCHEMBL7422467 0.78 KDM4E (0.54) HPGDPARP1PKN1PKN2CNR2
SCHEMBL24112861 0.76 PKN1 (0.40) MAOBADORA2AHPGDSSMN1; SMN2PKN1

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 MAOB 1780/4885ADORA2A 4145/4885HPSE 294/4885

“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.