SCHEMBL3134836

SCHEMBL3134836

NNC(=O)c1ccc(N2CCCC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ATM Q13315 1/20 0.59
MAPT P10636 6/20 0.57
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 5/20 0.52
GAA P10253 1/20 0.52
AVPR2 P30518 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IP6K1 Q92551 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GFER P55789 1/20 0.47
NPC1 O15118 2/20 0.46

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
SCHEMBL3138426 0.98 MEN1 (0.58) MEN1KMT2AATMMAPTKDM4E
SCHEMBL3133550 0.87 MAPT (0.56) MEN1KMT2AATMMAPTKDM4E
SCHEMBL5063205 0.84 AVPR2 (0.54) MEN1KMT2AATMMAPTKDM4E
SCHEMBL3119554 0.81 IP6K1 (0.61) MEN1KMT2AATMMAPTKDM4E
SCHEMBL2301042 0.80 IP6K1 (0.59) MEN1KMT2AATMMAPTKDM4E
SCHEMBL40490 0.79 IP6K1 (0.68) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL15923351 0.78 MYC (0.57) MEN1KMT2AATMMAPTKDM4E
SCHEMBL13099159 0.77 MAPT (0.40) MEN1KMT2AATMMAPTKDM4E
SCHEMBL3143273 0.77 KDM4E (0.58) MAPTKDM4ERAB9AGAAAVPR2
SCHEMBL13851496 0.76 MAPT (0.50) MEN1KMT2AATMMAPTRAB9A

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 MEN1 1092/4885KMT2A 3126/4885ATM 3799/4885

“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.