SCHEMBL5535937

SCHEMBL5535937

[CH2]c1ccccc1NCc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
NTRK1 P04629 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
PIM1 P11309 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PABPC1 P11940 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
MAOB P27338 1/20 0.37
SSTR3 P32745 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL5545048 0.86 SSTR3 (0.45) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL5539429 0.86 HDAC8 (0.41) NTRK1HDAC1HDAC8HDAC6MAPT
SCHEMBL5534771 0.85 NTRK1 (0.38) NTRK1AURKARPS6KB1HDAC1HDAC8
SCHEMBL5534733 0.81 KCNH3 (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15722540 0.80 HDAC1 (0.43) KDM1AAURKARPS6KB1PIM1HDAC1
SCHEMBL5536813 0.80 APP (0.46) KDM1AAURKARPS6KB1PIM1KDM4E
SCHEMBL5540800 0.79 CCNE2 (0.40) NTRK1AURKARPS6KB1HDAC1HDAC8
SCHEMBL8236437 0.78 MAPK1 (0.41) KDM1AAURKARPS6KB1PIM1HDAC1
SCHEMBL5539503 0.77 MAPT (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5544370 0.77 SSTR3 (0.51) MAPTKDM4EALDH1A1SSTR3GAA

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KDM1A 4622/4885NTRK1 777/4885AURKA 1846/4885

“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.