SCHEMBL3487125

SCHEMBL3487125

Cc1ccccc1Oc1ccc([N+](=O)[O-])c(N(C)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LPAR1 Q92633 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 2/20 0.39
HPGD P15428 2/20 0.39
F10 P00742 1/20 0.39
TSPO P30536 1/20 0.39
FFAR1 O14842 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3487130 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL3487485 0.88 HSPB1 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL3488707 0.87 HSPB1 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL3487360 0.87 HSPB1 (0.46) LPAR1LPAR5KMT2AMEN1F10
SCHEMBL3487405 0.85 TBXA2R (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL3487594 0.85 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1POLBHPGD
SCHEMBL3488698 0.84 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1POLBHPGD
SCHEMBL3486660 0.83 ALDH1A1 (0.45) SMN1; SMN2CYP2C9CYP2C19NPSR1LPAR1
SCHEMBL3486663 0.83 ALDH1A1 (0.45) SMN1; SMN2CYP2C9CYP2C19NPSR1LPAR1
SCHEMBL3486956 0.82 HSD17B1 (0.48) SMN1; SMN2KMT2AMEN1FFAR1TBXA2R

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 SMN1; SMN2 4397/4885CYP1A2 653/4885CYP2C9 848/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA SMN1; SMN2 4397/4885CYP1A2 653/4885CYP2C9 848/4885

“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.