SCHEMBL3487984

SCHEMBL3487984

COc1ccc(F)c(Oc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3487979 1.00 NPSR1 (0.43) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3487141 0.90 L3MBTL1 (0.44) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3487146 0.90 L3MBTL1 (0.44) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3487353 0.89 MAPK1 (0.46) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3487345 0.89 MAPK1 (0.46) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3487359 0.86 HSPB1 (0.45) NPSR1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3487363 0.86 HSPB1 (0.45) NPSR1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL3488422 0.85 PTPN1 (0.48) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL3488427 0.85 PTPN1 (0.48) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL3487273 0.84 HTR2A (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A

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 NPSR1 1128/4885ALDH1A1 698/4885LMNA 2188/4885

“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.