SCHEMBL6824522

SCHEMBL6824522

O=C(NC1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
EPHX1 P07099 1/20 0.55
CHRNA7 P36544 2/20 0.54
SMYD3 Q9H7B4 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
HTR3E A5X5Y0 1/20 0.49

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
Hydrochloric Acid SCHEMBL7527565 0.98 MEN1 (0.55) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL18054896 0.90 MEN1 (0.54) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL28975690 0.88 MEN1 (0.64) MEN1KMT2ANPC1RAB9AEPHX1
Tert-Butyl Formate SCHEMBL28822382 0.85 MEN1 (0.47) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL13575468 0.83 KHK (0.54) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL279571 0.83 RAB9A (0.71) MEN1KMT2ANPC1RAB9ASMYD3
SCHEMBL3036579 0.83 HDAC4 (0.56) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL1424863 0.83 NPC1 (0.71) MEN1KMT2ANPC1RAB9ASMYD3
SCHEMBL8303337 0.83 EPHX1 (0.77) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL594567 0.83 NPC1 (0.62) MEN1KMT2ANPC1RAB9AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
CN-104945470-B Tripeptide epoxy ketone compound constructed by heterocycle, preparation and application 浙江大学 2020-08-11 CN disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 US disclosed
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 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-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP MEN1 854/4885KMT2A 2919/4885NPC1 4140/4885

“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.