SCHEMBL3487405

SCHEMBL3487405

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.36
PTGS2 P35354 2/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 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
SCHEMBL27804034 0.90 HSPB1 (0.40) TBXA2RSMN1; SMN2NPSR1HPGDALDH1A1
SCHEMBL27804074 0.89 HSPB1 (0.39) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6543706 0.88 ALDH1A1 (0.36) TBXA2RSMN1; SMN2NPSR1HPGDALDH1A1
SCHEMBL6544430 0.87 MMP13 (0.42) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL6544703 0.87 PDCD1 (0.36) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL27939756 0.86 KMT2A (0.39) SMN1; SMN2HPGDALDH1A1HTTKMT2A
SCHEMBL3487125 0.85 SMN1; SMN2 (0.43) TBXA2RSMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL3487130 0.85 SMN1; SMN2 (0.43) TBXA2RSMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL6544015 0.85 ALDH1A1 (0.34) TBXA2RSMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL3487495 0.84 ALDH1A1 (0.41) TBXA2RSMN1; SMN2NPSR1CYP2C9CYP2C19

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 TBXA2R 981/4885SMN1; SMN2 4397/4885NPSR1 1128/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA TBXA2R 981/4885SMN1; SMN2 4397/4885NPSR1 1128/4885

“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.