SCHEMBL3133550

SCHEMBL3133550

NNC(=O)c1ccc(N2CCOCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
PKM P14618 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PRKDC P78527 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
MCL1 Q07820 1/20 0.50
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ACLY P53396 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.45
THRB P10828 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
SCHEMBL3134836 0.87 MEN1 (0.59) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL3138426 0.86 MEN1 (0.58) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL4890072 0.85 PRKDC (0.56) MAPTPKMKDM4EPRKDCMEN1
SCHEMBL20580162 0.83 PRKDC (0.51) MAPTPRKDCMEN1KMT2APIK3CD
SCHEMBL18412769 0.83 MAPT (0.56) MAPTPKMKDM4EPRKDCMEN1
SCHEMBL2088694 0.82 ACLY (0.57) MAPTPKMKDM4EPRKDCMEN1
Hydrochloric Acid SCHEMBL4890076 0.81 ACLY (0.56) MAPTPKMKDM4EPRKDCMEN1
SCHEMBL8260769 0.81 PRKDC (0.71) MAPTPKMKDM4EPRKDCMEN1
SCHEMBL2086265 0.81 PRKDC (0.55) MAPTPKMKDM4EPRKDCMEN1
SCHEMBL1931343 0.80 HIF1A (0.58) MAPTPKMKDM4EPRKDCMEN1

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-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 MAPT 4734/4885PKM 1696/4885KDM4E 3556/4885

“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.