SCHEMBL3484438

SCHEMBL3484438

CC(C)(C)OC(=O)N1CCc2c(Oc3ccc([N+](=O)[O-])cc3Cl)cccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GPR55 Q9Y2T6 1/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
TBXA2R P21731 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
UCHL1 P09936 1/20 0.41
AR P10275 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3484186 0.84 NOTUM (0.43) UCHL1AR
SCHEMBL3484607 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL256730 0.79 UCHL1 (0.53) ALDH1A1MAPTLMNAUCHL1
SCHEMBL868725 0.76 NOTUM (0.65) UCHL1AR
SCHEMBL1701324 0.74 LMNA (0.51) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1097264 0.74 LMNA (0.51) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL20874120 0.73 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3484058 0.72 KMT2A (0.49) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL3505130 0.72 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AGPR55MAPT
SCHEMBL3484966 0.72 KMT2A (0.47) ALDH1A1MEN1KMT2AGPR55MAPT

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 3 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
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN 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 ALDH1A1 2591/4885MEN1 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.