SCHEMBL3778274

SCHEMBL3778274

O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.49
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL2844597 1.00 MEN1 (0.49) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL11224609 0.90 MAOB (0.59) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL11224607 0.90 MAOB (0.59) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL11224613 0.90 MAOB (0.59) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL600336 0.83 MAOB (0.55) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL600337 0.83 MAOB (0.55) MEN1KMT2AMAPTNPSR1MAOB
SCHEMBL1758388 0.82 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C1ALDH1A1
SCHEMBL1758384 0.82 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C1ALDH1A1
SCHEMBL4455663 0.82 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C1ALDH1A1
SCHEMBL6285284 0.78 MAOB (0.50) MEN1KMT2AMAPTNPSR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993123-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-03-31 US disclosed
US-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-30 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-20100327270-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, ELAVL1, EPCAM MEN1 835/4885KMT2A 4115/4885MAPT 609/4885

“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.