SCHEMBL3484724

SCHEMBL3484724

COC(=O)c1cnn2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 1/20 0.47
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL3484246 0.84 TDP1 (0.41) KMT2AGAAPKMTDP1PDE7A
SCHEMBL3484189 0.77 TDP1 (0.64) MEN1KMT2AGAAPKMTDP1
SCHEMBL10789320 0.77 TDP1 (0.81) MEN1KMT2AGAAPKMTDP1
SCHEMBL3485081 0.76 TDP1 (0.54) MEN1KMT2AGAAPKMTDP1
SCHEMBL3509871 0.76 MEN1 (0.68) MEN1KMT2AGAAPKMTDP1
SCHEMBL3484361 0.74 MEN1 (0.56) MEN1KMT2AGAAPKMTDP1
SCHEMBL3483961 0.73 TDP1 (0.59) MEN1KMT2AGAAPKMTDP1
SCHEMBL3484788 0.73 PDE7A (0.56) MEN1KMT2AGAAPKMPDE7A
SCHEMBL3616031 0.73 LCK (0.45) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL28784701 0.73 TDP1 (0.58) MEN1KMT2AGAAPKMTDP1

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 MEN1 2063/4885KMT2A 300/4885GAA 4240/4885

“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.