SCHEMBL23809496

SCHEMBL23809496

CC(C)c1cccc2cc(C(N)=O)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
PLA2G10 O15496 6/20 0.38
MCL1 Q07820 1/20 0.37
ALOX5 P09917 1/20 0.36
LMNA P02545 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL23809201 0.80 ALDH1A1 (0.33) SLC9A1PLA2G10LMNAHPGD
SCHEMBL26037787 0.80 PLA2G10 (0.51) SLC9A1PLA2G10MCL1LMNACYP1A2
SCHEMBL23809230 0.79 CASR (0.41) PLA2G10MCL1HPGD
SCHEMBL23809377 0.76 SLC9A1 (0.48) SLC9A1PLA2G10MCL1LMNAFAAH
SCHEMBL3967613 0.74 GABRA1 (0.38) LMNAFAAHCA1CA2CYP1A2
SCHEMBL23809202 0.73 KDM4E (0.47) PLA2G10MCL1GABRA1HPGDTSHR
SCHEMBL23809479 0.72 KMT2A (0.44) LMNACA1CA2CYP1A2CYP3A4
SCHEMBL11684888 0.72 KMT2A (0.53) LMNAFAAHCA1CA2CYP1A2
SCHEMBL28720908 0.71 FDPS (0.47) MCL1CYP1A2
SCHEMBL2323444 0.70 MCL1 (0.71) SLC9A1PLA2G10MCL1

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 SLC9A1 3587/4885PLA2G10 2569/4885MCL1 1/4885

“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.