SCHEMBL2028034

SCHEMBL2028034

O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
MITF O75030 1/20 0.54
POLB P06746 1/20 0.54
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
MAPT P10636 5/20 0.49
AURKA O14965 3/20 0.48
MGAM O43451 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL10561379 0.86 CNR1 (0.51) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL2027320 0.83 CNR1 (0.55) KMT2AMEN1ACHEBACE1MAPT
SCHEMBL2027314 0.83 MAPK13 (0.52) KMT2AMEN1NPC1RAB9AACHE
SCHEMBL2029732 0.77 NPC1 (0.56) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL9514606 0.74 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2127659 0.74 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30912933 0.72 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL29086752 0.72 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL5696151 0.72 MEN1 (1.00) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL5274289 0.71 KDM4E (0.58) KMT2AMEN1POLBMAPTMGAM

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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US claimed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 KMT2A 1448/4885MEN1 2616/4885NPC1 673/4885

“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.