SCHEMBL3912470

SCHEMBL3912470

N#CC(F)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
BACE1 P56817 1/20 0.45
MAOB P27338 3/20 0.45
PTGES O14684 1/20 0.44
AR P10275 1/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 2/20 0.41
ALOX5 P09917 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL30832846 0.80 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL1663438 0.80 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM
SCHEMBL6646794 0.79 L3MBTL1 (0.47) SGMS2MEN1KMT2ANPC1RAB9A
SCHEMBL1336543 0.79 MAOB (0.65) MEN1KMT2ANPC1RAB9AATM
SCHEMBL9769387 0.77 MEN1 (0.44) SGMS2MEN1KMT2ANPC1RAB9A
SCHEMBL519418 0.77 PTGES (0.61) MEN1KMT2ANPC1RAB9AATM
SCHEMBL29463874 0.77 PTGES (0.61) MEN1KMT2ANPC1RAB9AATM
SCHEMBL8388636 0.77 ALDH1A1 (0.55) SGMS2MEN1KMT2ANPC1RAB9A
SCHEMBL5139856 0.76 BACE1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14191569 0.76 BACE1 (0.50) MEN1KMT2ANPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 SGMS2 40/4885MEN1 1522/4885KMT2A 840/4885

“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.