SCHEMBL3484189

SCHEMBL3484189

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
GAA P10253 2/20 0.60
PKM P14618 1/20 0.60
ALDH1A1 P00352 9/20 0.56
MAPT P10636 4/20 0.56
PDE7A Q13946 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
HSP90AA1 P07900 1/20 0.48
TBXA2R P21731 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
GPR55 Q9Y2T6 1/20 0.47
RAB9A P51151 1/20 0.46
TTR P02766 1/20 0.45
PPOX P50336 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
SCHEMBL10789320 0.88 TDP1 (0.81) TDP1MEN1KMT2AGAAPKM
SCHEMBL3483961 0.84 TDP1 (0.59) TDP1MEN1KMT2AGAAPKM
SCHEMBL31557892 0.84 MEN1 (0.51) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL28784701 0.84 TDP1 (0.58) TDP1MEN1KMT2AGAAPKM
SCHEMBL3485081 0.83 TDP1 (0.54) TDP1MEN1KMT2AGAAPKM
SCHEMBL3509871 0.83 MEN1 (0.68) TDP1MEN1KMT2AGAAPKM
SCHEMBL1319532 0.81 ALDH1A1 (0.55) TDP1MEN1KMT2AGAAALDH1A1
Bifenox SCHEMBL27552005 0.80 TDP1 (0.89) TDP1MEN1KMT2AGAAPKM
SCHEMBL3505843 0.80 ALDH1A1 (0.70) TDP1MEN1KMT2AGAAPKM
SCHEMBL31557898 0.80 PYGL (0.49) TDP1MEN1KMT2AGAAPKM

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 TDP1 4676/4885MEN1 2063/4885KMT2A 300/4885

“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.