SCHEMBL5534809

SCHEMBL5534809

[CH]1NCCN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
ALOX5 P09917 3/20 0.37
USP2 O75604 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
ALOX15 P16050 2/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL15704762 0.78 SIGMAR1 (0.42) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL739058 0.70 SIGMAR1 (0.52) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL7811095 0.65 SIGMAR1 (0.46) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL7358977 0.65 HTR3E (0.57) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL5799604 0.64 SIGMAR1 (0.35) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL9347292 0.64 ALOX5 (0.50) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL1007069 0.62 MAPT (0.39) SIGMAR1HTR3EHTR3BADRB1HTR3A
Phenylpiperazine SCHEMBL55125 0.62 ADRB1 (1.00) SIGMAR1HTR3EHTR3BADRB1HTR3A
Phenylpiperazine SCHEMBL24889 0.62 ADRB1 (1.00) SIGMAR1HTR3EHTR3BADRB1HTR3A
Phenylpiperazine SCHEMBL29135595 0.62 ADRB1 (1.00) SIGMAR1HTR3EHTR3BADRB1HTR3A

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 SIGMAR1 234/4885HTR3E 3949/4885HTR3B 2129/4885

“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.