SCHEMBL5445153

SCHEMBL5445153

FC(F)(F)c1ccc(-n2c[c]cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 2/20 0.34
KIF11 P52732 5/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SRD5A2 P31213 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL5540945 0.79 NOTUM (0.46) NOTUMALDH1A1TSHR
SCHEMBL2753545 0.77 NOTUM (0.37) NOTUM
SCHEMBL5535953 0.75 ELANE (0.38) TDP1NOTUMALDH1A1TSHRMGLL
SCHEMBL2751112 0.75 ALDH1A1 (0.44) TDP1NOTUMALDH1A1PKMCA2
SCHEMBL2749018 0.75 ALDH1A1 (0.40) TDP1ALDH1A1PKMTSHRCA2
SCHEMBL2238653 0.73 ALDH1A1 (0.52) TDP1KIF11ALDH1A1PKMTSHR
SCHEMBL28682190 0.68 TDP1 (0.41) TDP1NOTUMKIF11ALDH1A1TSHR
SCHEMBL6685857 0.68 TDP1 (0.53) TDP1ALDH1A1CA2
SCHEMBL2753214 0.65
SCHEMBL2752355 0.65 NOTUM (0.41) NOTUMALDH1A1

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
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
CN-101124216-A Heterocyclic MCHr1 antagonists and their use in therapy ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TDP1 4666/4885NOTUM 3827/4885KIF11 3946/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 TDP1 2220/4885NOTUM 2106/4885KIF11 1280/4885

“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.