SCHEMBL3486961

SCHEMBL3486961

Cc1cccc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALOX5 P09917 1/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 2/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
GRK6 P43250 1/20 0.40
TBXA2R P21731 1/20 0.40
MGLL Q99685 1/20 0.39
FFAR1 O14842 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
SCHEMBL3486956 1.00 HSD17B1 (0.48) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL3486660 0.89 ALDH1A1 (0.45) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL3486663 0.89 ALDH1A1 (0.45) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL3489726 0.88 AKR1C3 (0.45) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL3487453 0.87 SIRT5 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3487628 0.87 MAPT (0.45) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL3487922 0.86 POLB (0.41) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3487106 0.85 HSD17B1 (0.44) HSD17B1HSD17B2MAPTMEN1KMT2A
SCHEMBL3488698 0.85 ALDH1A1 (0.43) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3489487 0.85 TSHR (0.36) MAPTMEN1KMT2AHTTSMN1; SMN2

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 HSD17B1 167/4885HSD17B2 219/4885MAPT 4610/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA HSD17B1 167/4885HSD17B2 219/4885MAPT 4610/4885

“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.