SCHEMBL3485203

SCHEMBL3485203

COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 7/20 0.50
LMNA P02545 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL3483986 0.85 KMT2A (0.53) MEN1KMT2AGAAPKMMAPT
SCHEMBL27790262 0.84 MEN1 (0.52) MEN1KMT2AGAAPKMMAPT
SCHEMBL10786891 0.81 TDP1 (0.50) MEN1KMT2AGAAPKMMAPT
SCHEMBL3484189 0.79 TDP1 (0.64) MEN1KMT2AGAAPKMMAPT
SCHEMBL10788663 0.78 MAPT (0.48) MEN1KMT2AGAAPKMMAPT
SCHEMBL4697145 0.78 KMT2A (0.54) MEN1KMT2AGAAPKMMAPT
SCHEMBL3505843 0.78 ALDH1A1 (0.70) MEN1KMT2AGAAPKMMAPT
SCHEMBL10789320 0.77 TDP1 (0.81) MEN1KMT2AGAAPKMMAPT
SCHEMBL9234021 0.77 ALDH1A1 (0.52) MEN1KMT2APKMMAPTLMNA
SCHEMBL222270 0.77 TDP1 (0.67) MEN1KMT2AGAAPKMMAPT

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.