SCHEMBL19906482

SCHEMBL19906482

Nc1cc2c(cc1Br)COC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYMS P04818 1/20 0.32
PRKCG P05129 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL17864275 0.82 PTK2 (0.41) MEN1ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL29664538 0.78 MEN1 (0.48) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL4718957 0.78 MEN1 (0.48) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL19995816 0.77 TYMS (0.41) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL19906479 0.76 CYP3A4 (0.46) ALDH1A1POLBMAPTPRKCGPRKCA
SCHEMBL9085228 0.73 MEN1 (0.54) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL6311279 0.73 NPC1 (0.38) MEN1APAF1ALDH1A1POLBMAPT
SCHEMBL31393884 0.71 PRKCG (0.31) POLBL3MBTL1PRKCGPRKCAPRKCD
SCHEMBL22271596 0.71 ALDH1A1 (0.36) ALDH1A1PRKCGPRKCAPRKCD
SCHEMBL22271601 0.71 GAA (0.50) ALDH1A1PRKCGPRKCAPRKCDCA12

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
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2018-05-03 US disclosed
EP-3287443-A1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Shionogi & Co., Ltd (JP) 2018-02-28 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-20180118694-A1 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S MEN1 382/4885APAF1 4747/4885ALDH1A1 2484/4885

“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.