SCHEMBL30469746

SCHEMBL30469746

COC(=O)Cc1csc2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
CA2 P00918 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 3/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MTNR1A P48039 8/20 0.45
MTNR1B P49286 5/20 0.45
UTS2R Q9UKP6 1/20 0.41
TP53 P04637 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
SCHEMBL15897090 1.00 CYP2A6 (0.55) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL28566065 0.86 CYP2A6 (0.52) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL31425881 0.86 CYP2A6 (0.52) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL8255589 0.86 CYP2A6 (0.52) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL9314600 0.84 CA2 (0.53) CA2MAPTKEAP1NFE2L2MTNR1A
SCHEMBL8253326 0.84 CYP2A6 (0.50) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL7116432 0.83 KEAP1 (0.69) CYP2A6CA2MAPTKEAP1NFE2L2
SCHEMBL7429693 0.82 KEAP1 (0.68) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL28563290 0.81 CYP2A6 (0.64) CYP2A6CA2HDAC10HDAC11HDAC8
SCHEMBL12749691 0.81 MTNR1A (0.52) MAPTKEAP1NFE2L2MTNR1AMTNR1B

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-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP 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-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CYP2A6 105/4885CA2 1832/4885HDAC10 232/4885

“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.