SCHEMBL3489487

SCHEMBL3489487

Cc1cc(F)cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SIRT5 Q9NXA8 2/20 0.36
PPARG P37231 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 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
SCHEMBL3488905 0.93 SIRT5 (0.38) SIRT5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3487205 0.89 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3487170 0.88 EPAS1 (0.46) SIRT5PPARGMEN1KMT2A
SCHEMBL3487922 0.87 POLB (0.41) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL3487913 0.87 HSPB1 (0.47) MAPTMEN1KMT2AHTTHCAR3
SCHEMBL27804037 0.86 AR (0.32) TSHRSIRT5PPARGMAPTMEN1
SCHEMBL3487453 0.86 SIRT5 (0.47) SIRT5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3486660 0.86 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3486663 0.86 ALDH1A1 (0.45) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3486961 0.85 HSD17B1 (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT

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 276/4885SIRT5 1239/4885PPARG 1/4885

“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.