SCHEMBL4176261

SCHEMBL4176261

O=[N+]([O-])c1cc(Cl)cc2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
VCAM1 P19320 1/20 0.37
LMNA P02545 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
SCHEMBL31276651 1.00 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL7611209 0.86 TXNRD1 (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3859982 0.79 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL18306166 0.79 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4174631 0.79 MAPT (0.49) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL17320636 0.79 MAPT (0.49) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL31009333 0.79 MAPT (0.45) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4096904 0.78 MAPK1 (0.37) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29739510 0.78 MAPK1 (0.37) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1515807 0.77 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 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-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX MAPT 2057/4885MEN1 2472/4885KMT2A 1509/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX MAPT 1924/4885MEN1 1910/4885KMT2A 1832/4885

“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.