SCHEMBL5584436

SCHEMBL5584436

CC(C)(C)OC(=O)Nc1ccccc1NCc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
DYRK1A Q13627 1/20 0.51
MAPT P10636 9/20 0.51
MEN1 O00255 7/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 3/20 0.49
NOD2 Q9HC29 1/20 0.49
RIPK1 Q13546 1/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
STAT1 P42224 1/20 0.47
ACP1 P24666 1/20 0.47
HDAC1 Q13547 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
SCHEMBL211848 0.93 HDAC1 (0.56) KMT2ADYRK1AMAPTMEN1ALDH1A1
SCHEMBL3949427 0.82 DYRK1A (0.70) KMT2ADYRK1AMAPTMEN1ALDH1A1
SCHEMBL30493298 0.82 DYRK1A (0.70) KMT2ADYRK1AMAPTMEN1ALDH1A1
SCHEMBL210651 0.81 HDAC1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2733780 0.81 HDAC1 (0.61) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL211650 0.80 HDAC1 (0.60) DYRK1AHDAC1
SCHEMBL5001543 0.79 RIPK1 (0.63) KMT2ADYRK1AMAPTMEN1ALDH1A1
SCHEMBL31068560 0.77 RIPK1 (0.66) KMT2ADYRK1AMAPTMEN1ALDH1A1
SCHEMBL211614 0.77 HDAC1 (0.74) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2733518 0.77 HDAC1 (0.58) DYRK1AHTTHDAC1

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 123/4885DYRK1A 3550/4885MAPT 3905/4885

“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.