SCHEMBL3109264

SCHEMBL3109264

CN(C)CCNC(=O)Cc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HDAC1 Q13547 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.43
LGALS1 P09382 1/20 0.43
GAA P10253 1/20 0.41
DNM1 Q05193 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACKR3 P25106 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3114044 0.91 HPGD (0.48) KCNH2HDAC1ALDH1A1KDM4EHPGD
SCHEMBL3109893 0.89 TRPV1 (0.47) KCNH2HDAC1HPGDGAADNM1
SCHEMBL11570271 0.83 KCNH2 (0.69) KCNH2ALDH1A1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL11570396 0.82 KCNH2 (0.67) KCNH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL14679387 0.82 HPGD (0.64) HDAC1ALDH1A1MAPTHPGDGAA
SCHEMBL849368 0.81 L3MBTL1 (0.63) KCNH2HDAC1ALDH1A1KDM4ECYP1A2
SCHEMBL8139484 0.81 HDAC1 (0.49) KCNH2HDAC1KDM4EMAPTHPGD
SCHEMBL2276151 0.81 ALDH1A1 (0.56) ALDH1A1HPGDGAACYP1A2CYP2D6
SCHEMBL5582645 0.81 HDAC1 (0.49) KCNH2HDAC1ALDH1A1KDM4EMAPT
SCHEMBL8117324 0.80 RORC (0.48) KCNH2HDAC1KDM4EMAPTHPGD

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 KCNH2 1637/4885HDAC1 1192/4885ALDH1A1 851/4885

“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.