SCHEMBL3487209

SCHEMBL3487209

COc1cc(F)cc(Oc2ccc([N+](=O)[O-])c(CNC(=O)O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SIRT5 Q9NXA8 2/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3487202 1.00 PTPN1 (0.41) PTPN1MEN1KMT2ASIRT5HPGD
SCHEMBL3488908 0.92 SIRT5 (0.43) PTPN1MEN1KMT2ASIRT5LMNA
SCHEMBL3488903 0.92 SIRT5 (0.43) PTPN1MEN1KMT2ASIRT5LMNA
SCHEMBL3487920 0.91 PTPN1 (0.43) PTPN1MEN1KMT2AHPGDLMNA
SCHEMBL3487930 0.91 PTPN1 (0.43) PTPN1MEN1KMT2AHPGDLMNA
SCHEMBL3489491 0.90 SIRT5 (0.41) PTPN1MEN1KMT2ASIRT5LMNA
SCHEMBL3489485 0.90 SIRT5 (0.41) PTPN1MEN1KMT2ASIRT5LMNA
SCHEMBL3488427 0.89 PTPN1 (0.48) PTPN1MEN1KMT2AHPGDLMNA
SCHEMBL3488422 0.89 PTPN1 (0.48) PTPN1MEN1KMT2AHPGDLMNA
SCHEMBL3489728 0.88 PTPN1 (0.46) PTPN1MEN1KMT2AHPGDMAPT

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 PTPN1 1446/4885MEN1 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.