SCHEMBL23809178

SCHEMBL23809178

CC(C)c1cn(C)c2cc(F)c(C(=O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NOTUM Q6P988 1/20 0.36
SCN9A Q15858 5/20 0.36
EIF4A3 P38919 2/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CDK2 P24941 1/20 0.34
SCN5A Q14524 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FABP3 P05413 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23809116 0.82 HDAC1 (0.40) MEN1KMT2AACE2EIF4A3CYP2C9
SCHEMBL12665424 0.76 LMNA (0.45) MEN1KMT2AIKBKETBK1EIF4A3
SCHEMBL29715820 0.74 MEN1 (0.49) MEN1KMT2ASCN9ASCN5A
SCHEMBL1554607 0.73 ACE2 (0.51) ACE2MTNR1AMTNR1BKDM4ESLC22A12
SCHEMBL16939392 0.72 EIF4A3 (0.50) MEN1KMT2AIKBKETBK1ACE2
SCHEMBL18911990 0.71 MEN1 (0.46) MEN1KMT2ANOTUM
SCHEMBL9381103 0.71 LMNA (0.50) MEN1KMT2ACYP2C9KDM4E
SCHEMBL23809242 0.71 KMT2A (0.35) MEN1KMT2AFABP4MTNR1AMTNR1B
SCHEMBL22822628 0.70 NR4A2 (0.49) SCN9ASCN5ACYP3A4CYP2C8CYP2C9
SCHEMBL31160199 0.70 MEN1 (0.45) MEN1KMT2ASCN9ASCN5AKDM4E

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 MEN1 3549/4885KMT2A 824/4885IKBKE 81/4885

“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.