SCHEMBL3488698

SCHEMBL3488698

Cc1ccc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
HCAR3 P49019 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL3487276 0.89 TSHR (0.38) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3487472 0.89 TSHR (0.38) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL3486663 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL3486660 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL3487594 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL3488424 0.86 MERTK (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL3486956 0.85 HSD17B1 (0.48) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3486961 0.85 HSD17B1 (0.48) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3487913 0.85 HSPB1 (0.47) ALDH1A1KMT2ALMNAMEN1HTT
SCHEMBL27939756 0.84 KMT2A (0.39) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD

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 698/4885SMN1; SMN2 4397/4885KMT2A 2465/4885

“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.