SCHEMBL3115266

SCHEMBL3115266

CN(C)CC(C)(C)CNC(=O)c1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNA5 P22460 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14500184 0.83 NPC1 (0.50) KDM4ESIGMAR1MEN1RAB9AKMT2A
SCHEMBL3542006 0.82 EPHX2 (0.51) KDM4ESIGMAR1MEN1RAB9AKMT2A
SCHEMBL3179898 0.80 ADORA2A (0.49) RAB9APRSS1CTSGCTRB1CMA1
SCHEMBL23139634 0.77 KDM4E (0.52) KDM4ESIGMAR1MEN1RAB9AKMT2A
SCHEMBL395691 0.74 ALDH1A1 (0.59) KDM4EKMT2AALDH1A1CYP2C19GAA
SCHEMBL743934 0.74 ACACB (0.43) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL12068703 0.74 TP53 (0.51) KDM4ESIGMAR1MEN1RAB9AKMT2A
SCHEMBL4483901 0.73 HDAC1 (0.54)
SCHEMBL12068701 0.72 NPC1 (0.43) KDM4ESIGMAR1MEN1RAB9AKMT2A
SCHEMBL3543155 0.72 CYP2D6 (0.52) KDM4ESIGMAR1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150539-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-12-18 EP disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
EP-2150539-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET KDM4E 1409/4885SIGMAR1 2601/4885MEN1 121/4885

“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.