SCHEMBL796508

SCHEMBL796508

CC(C)(C)OC(=O)N1CCC(Nc2c([N+](=O)[O-])cnc3ccc(Cl)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MELK Q14680 1/20 0.45
CNR1 P21554 3/20 0.44
JAK1 P23458 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
MET P08581 2/20 0.41
CNR2 P34972 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LMNA P02545 1/20 0.40
MAP4K4 O95819 1/20 0.40
CCNT1 O60563 1/20 0.39

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
SCHEMBL16748170 0.96 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL18157253 0.91 MEN1 (0.43) MEN1KMT2AMELKCNR1MET
SCHEMBL16748166 0.91 MEN1 (0.43) MEN1KMT2AMELKCNR1MET
SCHEMBL16748316 0.91 MEN1 (0.43) MEN1KMT2AMELKCNR1MET
SCHEMBL796000 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL14978589 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10069805 0.85 CNR1 (0.47) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2279974 0.85 MELK (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL16086150 0.84 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL18091267 0.83 MELK (0.44) MEN1KMT2AMAPTL3MBTL1MELK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR MEN1 1459/4885KMT2A 4123/4885ALDH1A1 1182/4885

“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.