SCHEMBL3487360

SCHEMBL3487360

CN(C(=O)O)c1cc(Oc2ccccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.46
PIN1 Q13526 1/20 0.42
MAPT P10636 1/20 0.42
PARP10 Q53GL7 1/20 0.41
LPAR1 Q92633 8/20 0.41
LPAR5 Q9H1C0 8/20 0.41
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 1/20 0.39
TSPO P30536 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
SCHEMBL3487347 0.90 HSPB1 (0.41) HSPB1MAPTPYGLMEN1KMT2A
SCHEMBL3487130 0.87 SMN1; SMN2 (0.43) MAPTLPAR1LPAR5MEN1KMT2A
SCHEMBL3487125 0.87 SMN1; SMN2 (0.43) MAPTLPAR1LPAR5MEN1KMT2A
SCHEMBL3487711 0.86 KDM4E (0.42) HSPB1PYGLMEN1KMT2ARAB9A
SCHEMBL3487980 0.86 RAB9A (0.41) MAPTMEN1KMT2ARAB9A
SCHEMBL3487143 0.86 L3MBTL1 (0.42) MAPTPYGLMEN1KMT2A
SCHEMBL3487913 0.85 HSPB1 (0.47) HSPB1MAPTMEN1KMT2A
SCHEMBL3487485 0.85 HSPB1 (0.43) HSPB1MAPTPYGLMEN1KMT2A
SCHEMBL3489428 0.84 SOS1 (0.39) MAPTMEN1KMT2ARAB9A
SCHEMBL3488707 0.84 HSPB1 (0.43) HSPB1MAPTPYGLMEN1KMT2A

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 HSPB1 3284/4885PIN1 3362/4885MAPT 4610/4885

“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.