SCHEMBL3487472

SCHEMBL3487472

Cc1ccc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 4/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.36
HCAR3 P49019 1/20 0.36
TP53 P04637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH3A1 P30838 1/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34

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
SCHEMBL3487276 0.91 TSHR (0.38) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3489428 0.90 SOS1 (0.39) KDM4EALDH1A1SMN1; SMN2RAB9AKMT2A
SCHEMBL3488698 0.89 ALDH1A1 (0.43) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3487913 0.86 HSPB1 (0.47) KDM4EALDH1A1KMT2AHTTMEN1
SCHEMBL27782480 0.85 ABL1 (0.34) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3488905 0.85 SIRT5 (0.38) KDM4EALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL3488707 0.85 HSPB1 (0.43) ALDH1A1SMN1; SMN2KMT2AHTTMEN1
SCHEMBL3486660 0.85 ALDH1A1 (0.45) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3486663 0.85 ALDH1A1 (0.45) TSHRKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL3487594 0.85 ALDH1A1 (0.40) TSHRALDH1A1NPC1SMN1; SMN2RAB9A

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 TSHR 276/4885KDM4E 3594/4885ALDH1A1 698/4885

“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.