SCHEMBL23809481

SCHEMBL23809481

CC(C)c1cn(Cc2ccncc2)c2ccc(C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.53
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ACE2 Q9BYF1 2/20 0.41
PPARG P37231 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TBXAS1 P24557 1/20 0.39
RHEB Q15382 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL23809203 0.86 SLC22A12 (0.52) SLC22A12CNR1CNR2PPARGKDM4E
SCHEMBL23809463 0.79 SLC22A12 (0.52) SLC22A12ACE2KDM4EALDH1A1
SCHEMBL23809468 0.78 SLC22A12 (0.50) SLC22A12ACE2KDM4ETHRATHRB
SCHEMBL23809523 0.78 SLC22A12 (0.51) SLC22A12ACE2KDM4EALDH1A1
SCHEMBL23809482 0.76 SLC22A12 (0.49) SLC22A12CNR1CNR2ACE2KDM4E
SCHEMBL23809350 0.76 SLC22A12 (0.49) SLC22A12CNR2ACE2KDM4EALDH1A1
SCHEMBL23809277 0.74 SLC22A12 (0.47) SLC22A12CNR1CNR2ACE2KMT2A
SCHEMBL1554607 0.74 ACE2 (0.51) SLC22A12ACE2KDM4EALDH1A1
SCHEMBL23809337 0.73 SLC22A12 (0.47) SLC22A12CNR1CNR2ACE2KDM4E
SCHEMBL23809406 0.72 HCAR3 (0.51) SLC22A12ACE2MEN1KMT2AKDM4E

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 SLC22A12 3136/4885FNTA 3779/4885FNTB 2951/4885

“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.