SCHEMBL3574875

SCHEMBL3574875

O=C1Cc2cc(C(=O)c3cccc([N+](=O)[O-])c3)ccc2N1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.74
PGR P06401 1/20 0.65
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KIF11 P52732 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
SMYD3 Q9H7B4 2/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3579843 0.88 TDP2 (0.58) TDP2PGRSIRT2ALDH1A1SMYD3
SCHEMBL18010844 0.85 TDP2 (1.00) TDP2PGRMEN1KMT2ACES2
SCHEMBL18010837 0.83 TDP2 (1.00) TDP2PGRMEN1KMT2ACES2
SCHEMBL18302919 0.82 MEN1 (0.63) TDP2PGRMEN1KMT2AKIF11
SCHEMBL3255662 0.81 SMYD3 (0.53) TDP2ALDH1A1SMYD3TDP1
SCHEMBL19954 0.79 PGR (0.71) TDP2PGRMEN1KMT2ASIRT2
SCHEMBL3523425 0.79 PGR (1.00) TDP2PGRKIF11
SCHEMBL7252586 0.79 EPHX2 (0.54) TDP2PGRSMYD3
SCHEMBL3574586 0.79 SMYD3 (0.52) TDP2PGRSMYD3
SCHEMBL3575509 0.79 SMYD3 (0.52) TDP2PGRSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 TDP2 1778/4885PGR 795/4885MEN1 3831/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 TDP2 1276/4885PGR 1704/4885MEN1 2293/4885

“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.