SCHEMBL18172287

SCHEMBL18172287

O=[N+]([O-])c1cc(Br)cnc1NCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
CYP2C19 P33261 2/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2322744 0.89 PIK3CA (0.46) MAPTPKMMEN1KMT2ALMNA
SCHEMBL20832864 0.86 PIK3CA (0.38) MAPTPOLBPKMMEN1KMT2A
SCHEMBL18181295 0.85 IRAK1 (0.40) MAPTPOLBPKMMEN1KMT2A
SCHEMBL11233906 0.81 MMP12 (0.45) MAPTPOLBPKMMEN1KMT2A
SCHEMBL18172300 0.80 MAPT (0.36) MAPTMEN1KMT2ACYP2C19RAB9A
SCHEMBL18172301 0.79 PIM1 (0.44) MEN1KMT2ALMNACYP2C19ALDH1A1
SCHEMBL4039191 0.79 MAPT (0.66) MAPTPOLBPKMMEN1KMT2A
SCHEMBL6527214 0.79 MAPT (0.58) MAPTPOLBPKMMEN1KMT2A
SCHEMBL18181083 0.78 CYP1A2 (0.58) MAPTPOLBPKMLMNACYP2C19
SCHEMBL3997225 0.77 PRKCQ (0.44) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107750251-B Isoxazolyl-substituted imidazopyridines 塞尔森瑞科有限责任公司 2020-09-01 CN disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO 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 (2 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 MAPT 4493/4885POLB 2112/4885PKM 3009/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 MAPT 4493/4885POLB 2112/4885PKM 3009/4885

“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.