SCHEMBL6915908

SCHEMBL6915908

O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.64
BCHE P06276 1/20 0.64
KMT2A Q03164 7/20 0.61
MEN1 O00255 4/20 0.61
CYP1B1 Q16678 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
MAOA P21397 2/20 0.53
MAPT P10636 5/20 0.53
HSP90AA1 P07900 1/20 0.52
NR2F2 P24468 1/20 0.52
ADAM17 P78536 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL11432402 1.00 MAOB (0.64) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL10744598 0.94 KMT2A (0.64) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL10744603 0.94 KMT2A (0.64) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL6908275 0.94 CYP1B1 (0.64) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL7922516 0.94 CYP1B1 (0.64) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL9523424 0.92 MAOB (0.61) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL5315888 0.92 MAOB (0.61) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL15367534 0.92 MAOB (0.61) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL17355377 0.92 MAOB (0.61) MAOBBCHEKMT2AMEN1CYP1B1
SCHEMBL9524097 0.87 KMT2A (0.66) MAOBBCHEKMT2AMEN1CYP1B1

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
US-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 US disclosed
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 US 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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 MAOB 1298/4885BCHE 2316/4885KMT2A 679/4885

“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.