SCHEMBL3487594

SCHEMBL3487594

COc1cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
PTBP1 P26599 1/20 0.39
KMT2A Q03164 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL3488698 0.88 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL3488424 0.87 MERTK (0.44) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL3487130 0.85 SMN1; SMN2 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL3487472 0.85 TSHR (0.38) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL3487125 0.85 SMN1; SMN2 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL3488707 0.84 HSPB1 (0.43) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL3486660 0.84 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1SMN1; SMN2GAA
SCHEMBL3486663 0.84 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1SMN1; SMN2GAA
SCHEMBL3487922 0.84 POLB (0.41) ALDH1A1LMNASMN1; SMN2GAAHTT
SCHEMBL3489726 0.83 AKR1C3 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGDNPC1

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 ALDH1A1 698/4885LMNA 2188/4885L3MBTL1 2253/4885

“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.