SCHEMBL18548565

SCHEMBL18548565

COc1cc(C(=O)OBr)cc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DYRK1A Q13627 2/20 0.44
USP2 O75604 1/20 0.44
SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL16533300 0.89 ALOX15 (0.58) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL16517662 0.84 KMT2A (0.52) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL1225083 0.84 HSD17B2 (0.51) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL30211275 0.83 MAPT (0.53) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL16533611 0.83 KMT2A (0.51) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL23905676 0.81 HPGDS (0.67) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL27976330 0.81 KMT2A (0.52) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL18031355 0.75 MAPT (0.53) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL23195948 0.75 MAPT (0.53) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL30834238 0.75 MAPT (0.53) KMT2AMEN1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815790-B2 Chemically modified quinoline and quinolone derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-11-14 US disclosed
WO-2017034877-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057922-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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-20170057922-A1 CHEMICALLY MODIFIED QUINOLINE AND QUINOLONE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, OPRK1 KMT2A 1959/4885MEN1 2202/4885LMNA 1730/4885

“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.