SCHEMBL709343

SCHEMBL709343

O=[N+]([O-])c1cc(Br)ccc1NCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
PKM P14618 4/20 0.65
POLB P06746 1/20 0.64
MAPT P10636 9/20 0.61
NPC1 O15118 2/20 0.61
MEN1 O00255 2/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
WNK1 Q9H4A3 1/20 0.55
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.51

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
SCHEMBL14247622 0.89 POLB (0.60) KMT2APKMPOLBMAPTNPC1
SCHEMBL594650 0.86 MAPT (0.61) KMT2APOLBMAPTMEN1RECQL
SCHEMBL18184326 0.83 KMT2A (0.65) KMT2APKMPOLBMAPTNPC1
SCHEMBL103245 0.82 KMT2A (0.63) KMT2APKMPOLBMAPTNPC1
SCHEMBL14247598 0.81 MAPT (0.53) KMT2APKMPOLBMAPTNPC1
SCHEMBL420259 0.80 ALDH1A1 (0.62) KMT2APKMPOLBMAPTSMN1; SMN2
SCHEMBL29670495 0.80 ALDH1A1 (0.62) KMT2APKMPOLBMAPTSMN1; SMN2
SCHEMBL26324521 0.80 HCAR3 (0.63) PKMPOLBMAPTNPC1SMN1; SMN2
SCHEMBL7519497 0.79 KMT2A (1.00) KMT2APKMMAPTNPC1MEN1
SCHEMBL12290345 0.79 MAPT (0.64) KMT2APKMPOLBMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KMT2A 933/4885PKM 1480/4885POLB 1235/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KMT2A 933/4885PKM 1480/4885POLB 1235/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 KMT2A 933/4885PKM 1480/4885POLB 1235/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 KMT2A 933/4885PKM 1480/4885POLB 1235/4885

“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.