SCHEMBL3487628

SCHEMBL3487628

CN(C(=O)O)c1cc(Oc2cccc(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 4/20 0.41
TBXA2R P21731 1/20 0.41
NAAA Q02083 1/20 0.41
MGLL Q99685 1/20 0.40
FAAH O00519 1/20 0.40
CRHR1 P34998 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
EPAS1 Q99814 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PGR P06401 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3486956 0.87 HSD17B1 (0.48) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3486961 0.87 HSD17B1 (0.48) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3489726 0.87 AKR1C3 (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL3487453 0.86 SIRT5 (0.47) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3487170 0.85 EPAS1 (0.46) MEN1KMT2ATDP1EPAS1
SCHEMBL3488318 0.84 ALOX5 (0.42) MAPTKDM4EMGLLFAAHPKM
SCHEMBL3489428 0.83 SOS1 (0.39) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3487550 0.83 DHODH (0.42) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3487335 0.83 MEN1 (0.46) MAPTMEN1KMT2ATDP1KDM4E
SCHEMBL3487546 0.83 DHODH (0.42) MAPTMEN1KMT2ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 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-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA MAPT 4610/4885MEN1 4545/4885KMT2A 2465/4885

“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.