SCHEMBL20061677

SCHEMBL20061677

CC(O)CNc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 5/20 0.45
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 3/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL18172316 1.00 MAPT (0.52) MAPTALDH1A1GLAMEN1KMT2A
SCHEMBL7449702 0.82 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18988769 0.81 PGK1 (0.48) MAPTALDH1A1GLAMEN1KMT2A
SCHEMBL20061674 0.81 ALDH1A1 (0.40) MAPTALDH1A1GLAMEN1KMT2A
SCHEMBL422751 0.79 MAPT (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL789794 0.79 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16722235 0.78 ALDH1A1 (0.47) MAPTALDH1A1GLASMN1; SMN2GAA
SCHEMBL16722232 0.78 ALDH1A1 (0.47) MAPTALDH1A1GLASMN1; SMN2GAA
SCHEMBL20595629 0.78 MAPT (0.50) MAPTALDH1A1GLASMN1; SMN2GAA
SCHEMBL16563517 0.77 LMNA (0.44) MAPTALDH1A1GLASMN1; SMN2GAA

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 5 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
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

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 4493/4885ALDH1A1 886/4885GLA 2436/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 MAPT 4493/4885ALDH1A1 886/4885GLA 2436/4885

“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.