SCHEMBL3484636

SCHEMBL3484636

CC(C)(C)NC(=O)c1cncc(Oc2ccc([N+](=O)[O-])cc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 9/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TBXA2R P21731 6/20 0.48
PDE7A Q13946 1/20 0.47
GPR55 Q9Y2T6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL3510530 0.85 ALDH1A1 (0.68) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484361 0.85 MEN1 (0.56) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3485184 0.83 PDE7A (0.54) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484355 0.83 EGFR (0.41) SIRT2SIRT1SIRT3
SCHEMBL3484468 0.82 MEN1 (0.55) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484630 0.82 MEN1 (0.50) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484055 0.79 MEN1 (0.52) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484616 0.79 TBXA2R (0.47) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL2031919 0.77 PDE7A (0.60) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3508383 0.76 ALDH1A1 (0.65) MEN1KMT2AGAAPKMALDH1A1

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.