SCHEMBL3641663

SCHEMBL3641663

O=C(O)Nc1cc(Oc2ccc([N+](=O)[O-])nc2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
CDK8 P49336 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
P2RX3 P56373 1/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3641659 1.00 KMT2A (0.40) KMT2ACDK8SMN1; SMN2HDAC1HDAC8
SCHEMBL3642907 0.87 ALDH1A1 (0.41) KMT2ACDK8SMN1; SMN2MEN1ALDH1A1
SCHEMBL3642909 0.87 ALDH1A1 (0.41) KMT2ACDK8SMN1; SMN2MEN1ALDH1A1
SCHEMBL4283781 0.86 LMNA (0.40) KMT2ACDK8MEN1ALDH1A1MAPT
SCHEMBL4283775 0.86 LMNA (0.40) KMT2ACDK8MEN1ALDH1A1MAPT
SCHEMBL13636122 0.85 PDK1 (0.39) KMT2ACDK8SMN1; SMN2MEN1P2RX3
SCHEMBL14949690 0.83 CDK8 (0.40) KMT2ACDK8SMN1; SMN2MEN1ALDH1A1
SCHEMBL14949687 0.83 CDK8 (0.40) KMT2ACDK8SMN1; SMN2MEN1ALDH1A1
SCHEMBL3637169 0.80 CDK8 (0.58) CDK8
SCHEMBL14949667 0.80 MAPT (0.51) KMT2ACDK8SMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 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 (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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KMT2A 1404/4885CDK8 2998/4885SMN1; SMN2 2466/4885

“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.