SCHEMBL16748166

SCHEMBL16748166

CC(C)(C)OC(=O)N1CCCC(Nc2c([N+](=O)[O-])cnc3ccc(Cl)nc23)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PARP1 P09874 1/20 0.41
PIK3CD O00329 2/20 0.40
USP30 Q70CQ3 3/20 0.40
MELK Q14680 1/20 0.39
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
MET P08581 2/20 0.39
PBK Q96KB5 1/20 0.39
BTK Q06187 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
HPGDS O60760 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL18157253 1.00 MEN1 (0.43) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL16748316 1.00 MEN1 (0.43) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL16748170 0.95 MEN1 (0.45) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL796508 0.91 MEN1 (0.47) MEN1KMT2APIK3CDMELKMAP4K4
SCHEMBL18091246 0.87 MELK (0.41) PIK3CDMELK
SCHEMBL18091245 0.87 MELK (0.41) PIK3CDMELK
SCHEMBL16748163 0.86 MAP4K4 (0.45) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL18157252 0.86 MAP4K4 (0.45) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL16748188 0.86 MAP4K4 (0.45) MEN1KMT2AHDAC4HDAC6PARP1
SCHEMBL14603814 0.83 USP30 (0.46) HDAC4HDAC6PARP1PIK3CDUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
EP-3072893-B1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF BEIJING FORELANDPHARMA CO LTD (CN) 2020-03-18 EP disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
US-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BEIJING FORELANDPHARMA CO. LTD. (CN) 2016-10-20 US disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 EP disclosed
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 EP disclosed
WO-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 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-20160304510-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DMPK, MAP3K15, MAP4K2 MEN1 1190/4885KMT2A 3498/4885HDAC4 919/4885

“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.