SCHEMBL3487485

SCHEMBL3487485

Cc1cc(F)ccc1Oc1ccc([N+](=O)[O-])c(N(C)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PYGL P06737 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3488707 0.92 HSPB1 (0.43) HSPB1CRHBPCRHR2L3MBTL1TDP1
SCHEMBL3487347 0.89 HSPB1 (0.41) HSPB1CRHBPCRHR2L3MBTL1TDP1
SCHEMBL3487130 0.88 SMN1; SMN2 (0.43) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL3487125 0.88 SMN1; SMN2 (0.43) L3MBTL1TDP1KMT2AMEN1LMNA
SCHEMBL3487913 0.87 HSPB1 (0.47) HSPB1CRHBPCRHR2TDP1KMT2A
SCHEMBL27804034 0.86 HSPB1 (0.40) HSPB1CRHBPCRHR2L3MBTL1TDP1
SCHEMBL3487711 0.85 KDM4E (0.42) HSPB1TDP1KMT2AMEN1TTR
SCHEMBL3487360 0.85 HSPB1 (0.46) HSPB1KMT2AMEN1PYGLMAPT
SCHEMBL3487472 0.84 TSHR (0.38) TDP1KMT2AMEN1TTRPPOX
SCHEMBL3487276 0.84 TSHR (0.38) L3MBTL1TDP1KMT2AMEN1TTR

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 3284/4885CRHBP 1676/4885CRHR2 862/4885

“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.