SCHEMBL6908272

SCHEMBL6908272

O=C(C=Cc1ccccc1)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 2/20 0.63
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SNCA P37840 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
BACE1 P56817 1/20 0.49
TTR P02766 1/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAOB P27338 1/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL6908269 1.00 KMT2A (0.63) KMT2AMEN1ESR1ESR2MAPT
SCHEMBL3794210 0.88 MEN1 (0.56) KMT2AMEN1ESR2MAPTLMNA
SCHEMBL9745903 0.86 RAB9A (0.48) KMT2AMEN1MAPTLMNAHTT
SCHEMBL6906382 0.85 KMT2A (0.53) KMT2AMEN1ESR1ESR2MAPT
SCHEMBL6906384 0.85 KMT2A (0.53) KMT2AMEN1ESR1ESR2MAPT
SCHEMBL3794214 0.85 MEN1 (0.55) KMT2AMEN1ESR2MAPTLMNA
SCHEMBL3794216 0.85 MEN1 (0.55) KMT2AMEN1ESR2MAPTLMNA
SCHEMBL11973532 0.82 RAB9A (0.53) KMT2AMEN1ESR2MAPTLMNA
SCHEMBL11973525 0.82 RAB9A (0.53) KMT2AMEN1ESR2MAPTLMNA
SCHEMBL28003594 0.80 EPHX2 (0.60) KMT2AMEN1MAPTLMNAHTT

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
US-20040092595-A1 Analgesic agent SEIWA PHARMACEUTICALS, LTD. (JP) 2004-05-13 US disclosed
US-20030100516-A1 Analgesic agent SEIWA PHARMACEUTICALS, LTD. (JP) 2003-05-29 US disclosed
EP-1118324-A1 Analgesic agent comprising a cyclobutanedicarboxylic acid derivative Seiwa Pharmaceutical, Limited (JP) 2001-07-25 EP disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 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 (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-20040092595-A1 Analgesic agent OPRD1, FPR1, OPRK1 KMT2A 3322/4885MEN1 4851/4885ESR1 3976/4885
US-20030100516-A1 Analgesic agent OPRD1, FPR1, OPRK1 KMT2A 3322/4885MEN1 4851/4885ESR1 3976/4885

“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.