SCHEMBL4164786

SCHEMBL4164786

Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.60
TSHR P16473 1/20 0.57
POLB P06746 3/20 0.56
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL3139713 0.83 LMNA (0.57) EPHX2TSHRPOLBMGAMGAA
SCHEMBL6807458 0.79 EPHX2 (0.50) EPHX2TSHRPOLBMGAMGAA
SCHEMBL6803163 0.79 EPHX2 (0.74) EPHX2TSHRPOLBALDH1A1LOXL2
SCHEMBL34467481 0.78 EPHX2 (0.49) EPHX2TSHRPOLBALDH1A1HPGD
SCHEMBL4723305 0.76 EPHX2 (0.66) EPHX2TSHRPOLBGAAALDH1A1
SCHEMBL963712 0.76 EPHX2 (0.70) EPHX2TSHRPOLBGAAALDH1A1
SCHEMBL3136047 0.76 EPHX2 (0.70) EPHX2TSHRPOLBGAAALDH1A1
SCHEMBL14341905 0.76 EPHX2 (1.00) EPHX2TSHRPOLBALDH1A1MAPT
SCHEMBL231214 0.76 EPHX2 (0.70) EPHX2TSHRPOLBMGAMGAA
SCHEMBL27674641 0.76 EPHX2 (0.70) EPHX2TSHRPOLBMGAMGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
US-6794378-B2 ANTIINFLAMMATORY AGENTS AJINOMOTO CO., INC. (JP) 2004-09-21 US disclosed
US-20020133005-A1 Heterocyclic compounds and medical use thereof AJINOMOTO CO., INC. (JP) 2002-09-19 US disclosed
EP-1193255-A1 HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2002-04-03 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-20020133005-A1 Heterocyclic compounds and medical use thereof NFKBIA, CHUK, RELA EPHX2 2556/4885TSHR 4622/4885POLB 4103/4885

“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.