SCHEMBL29984530

SCHEMBL29984530

C/C(=N\c1ccc(C(C)(C)C)cc1)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.40
KIF11 P52732 2/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
AGTR1 P30556 1/20 0.39
CCR9 P51686 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL29984815 1.00 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL23942680 1.00 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL23941643 0.83 NPC1 (0.49) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL5889037 0.80 AGTR1 (0.59) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL6150375 0.79 AGTR1 (0.58) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL23925714 0.76 ALDH1A1 (0.52) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL6150372 0.75 ALDH1A1 (0.51) SLC22A2SLC22A1SLC22A3NPC1RAB9A
SCHEMBL23973903 0.73 CYP1A2 (0.39) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL30167520 0.73 CYP1A2 (0.39) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL25220475 0.73 CYP1A2 (0.39) NPC1RAB9ASMN1; SMN2MAPTTP53

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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-01 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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL SLC22A2 4466/4885SLC22A1 4432/4885SLC22A3 3740/4885

“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.