SCHEMBL4630607

SCHEMBL4630607

CCC(C)Cc1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 3/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.32
DAO P14920 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL510583 0.81 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL29364563 0.81 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL1831312 0.79 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL4865864 0.79 PSMB5 (0.37) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL19214801 0.78 HSP90AA1 (0.35) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL10715444 0.78 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL4685179 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL20061662 0.78 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL4324227 0.78 HRH4 (0.41) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2
SCHEMBL18462726 0.78 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2NLRP3CYP1A2

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
CN-102858186-B Method for producing soluble and functional plant proteins, products obtained and uses 罗盖特兄弟公司 2016-11-09 CN claimed
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 US disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-6325860-B1 HEATING MIXTURE INCLUDING HYDROXYKETONE, ALDEHYDE AND AMMONIUM HYDROXIDE FOR TIME AND UNDER CONDITIONS SUFFICIENT TO PROVIDE FLAVORFUL AND AROMATIC COMPOSITION R. J. REYNOLDS TOBACCO COMPANY 2001-12-04 US 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-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S KDM4E 2499/4885ALDH1A1 521/4885SMN1; SMN2 2797/4885

“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.