SCHEMBL5539700

SCHEMBL5539700

Cc1cc2oc(=O)[nH]c2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.53
NOS2 P35228 4/20 0.53
NOS3 P29474 3/20 0.53
KMO O15229 1/20 0.52
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OGT O15294 1/20 0.41
CREBBP Q92793 1/20 0.41
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39

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
SCHEMBL30881282 1.00 NOS1 (0.53) NOS1NOS2NOS3KMOLMNA
SCHEMBL5543211 0.93 NOS1 (0.53) NOS1NOS2NOS3KMOLMNA
SCHEMBL17069084 0.84 NOS1 (0.60) NOS1NOS2NOS3KMOLMNA
SCHEMBL11040016 0.81 NOS1 (0.53) NOS1NOS2NOS3KMOLMNA
SCHEMBL23442963 0.79 MAOA (0.45) NOS1NOS2NOS3GAAKDM4E
SCHEMBL5539695 0.78 KMO (0.52) NOS1NOS2NOS3KMOLMNA
SCHEMBL783644 0.78 KMO (0.72) NOS1NOS2NOS3KMOLMNA
SCHEMBL5536706 0.78 KMO (0.72) NOS1NOS2NOS3KMOLMNA
SCHEMBL522196 0.78 NOS1 (0.53) NOS1NOS2NOS3KMOLMNA
SCHEMBL31180320 0.78 KMO (0.52) NOS1NOS2NOS3KMOLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-9725463-B2 Substituted heterocyclic compounds as CRAC modulators LUPIN LIMITED (IN) 2017-08-08 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2016-05-26 US disclosed
WO-2014203217-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2014-12-24 WO disclosed
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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOS1 553/4885NOS2 610/4885NOS3 214/4885
US-20160145268-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS CRAC MODULATORS RYR2, NR2C2, CACNA1E NOS1 1516/4885NOS2 1038/4885NOS3 679/4885

“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.