SCHEMBL3484630

SCHEMBL3484630

Cc1ncc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
TBXA2R P21731 7/20 0.48
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
PDE7A Q13946 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL3485081 0.85 TDP1 (0.54) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484489 0.85 MEN1 (0.53) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3484468 0.85 MEN1 (0.55) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3484639 0.83 GRM4 (0.42) KMT2ATDP1
SCHEMBL3484636 0.82 MEN1 (0.52) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3484055 0.80 MEN1 (0.52) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3510530 0.77 ALDH1A1 (0.68) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3484455 0.76 TBXA2R (0.50) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3484616 0.76 TBXA2R (0.47) MEN1KMT2AGAAPKMTBXA2R
SCHEMBL3484654 0.74 MEN1 (0.53) 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.