SCHEMBL29136138

SCHEMBL29136138

COC(=O)c1ccc(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ACKR3 P25106 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KDM1A O60341 1/20 0.46
SCN9A Q15858 1/20 0.46
CHEK2 O96017 1/20 0.46
GLS O94925 1/20 0.46
USP30 Q70CQ3 2/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
CYP2D6 P10635 2/20 0.45
CCR3 P51677 2/20 0.45
BCHE P06276 1/20 0.45
HTR6 P50406 1/20 0.45
CYP2C9 P11712 1/20 0.44
FEN1 P39748 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL29347992 0.87 GPR119 (0.53) KMT2AACKR3MEN1KDM1AGLS
SCHEMBL3907013 0.87 KDM4E (0.55) KMT2AHDAC1HDAC6KDM4E
SCHEMBL22036273 0.86 MEN1 (0.53) KMT2AACKR3MEN1KDM1AGLS
SCHEMBL4149104 0.86 CCR3 (0.51) KMT2AACKR3SCN9ACYP2D6CCR3
SCHEMBL5582903 0.86 BACE1 (0.50) KMT2AACKR3MEN1KDM1ASCN9A
SCHEMBL21358915 0.86 CCR3 (0.51) KMT2AACKR3SCN9ACYP2D6CCR3
SCHEMBL8237687 0.86 ACKR3 (0.57) ACKR3KDM4EKDM1AUSP30BCHE
SCHEMBL6214983 0.86 ACKR3 (0.57) ACKR3KDM4EKDM1AUSP30BCHE
SCHEMBL27177263 0.86 KMT2A (0.53) KMT2AKDM4EMEN1CCR3
SCHEMBL15331285 0.84 BACE1 (0.46) KMT2AACKR3MEN1KDM1ASCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER HOFFMANN-LA ROCHE INC. (US) 2024-05-02 US disclosed
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN 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-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER IL1B, IL1A, IL1R1 KMT2A 2242/4885ACKR3 86/4885HDAC1 154/4885

“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.