SCHEMBL3488024

SCHEMBL3488024

CNc1cc(Oc2ccc(F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.59
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 6/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 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
SCHEMBL30167007 0.85 HSPB1 (0.53) HSPB1TDP1ATMMAPTLMNA
SCHEMBL13211382 0.82 MAPT (0.53) TDP1MAPTLMNAHTTL3MBTL1
SCHEMBL28501068 0.82 HSPB1 (0.62) HSPB1TDP1ATMMAPTLMNA
SCHEMBL29705127 0.80 TDP1 (0.58) HSPB1TDP1ATMMAPTLMNA
SCHEMBL503378 0.80 TDP1 (0.58) HSPB1TDP1ATMMAPTLMNA
SCHEMBL24750210 0.80 HSPB1 (0.63) HSPB1TDP1ATMMAPTLMNA
SCHEMBL31009402 0.80 HSPB1 (0.63) HSPB1TDP1ATMMAPTLMNA
SCHEMBL16738728 0.80 HSPB1 (0.54) HSPB1TDP1ATMMAPTHTT
SCHEMBL4851442 0.79 TDP1 (0.65) HSPB1TDP1ATMMAPTLMNA
SCHEMBL6544182 0.79 MAPT (0.45) HSPB1TDP1ATMMAPTLMNA

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 4 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US 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 (2 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HSPB1 3284/4885TDP1 4745/4885ATM 4120/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HSPB1 3284/4885TDP1 4745/4885ATM 4120/4885

“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.