SCHEMBL10101627

SCHEMBL10101627

CN(C)CC(C)(C)CNC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL10101623 0.76 NPSR1 (0.34) KMT2ACYP2C9
SCHEMBL680376 0.76 KMT2A (0.35) KMT2AKDM4ESIGMAR1
SCHEMBL22022490 0.75
SCHEMBL10596223 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL2980091 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL6897806 0.74 KMT2A (0.34) KMT2AKDM4ESIGMAR1
SCHEMBL227850 0.73 CYP3A4 (0.34) CYP2D6CYP2C19
SCHEMBL9285442 0.72 KMT2A (0.33) KMT2AKDM4ESIGMAR1
SCHEMBL4667733 0.72 TP53 (0.33) KMT2AKDM4ESIGMAR1ALDH1A1GAA
SCHEMBL26460975 0.71 NPSR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098730-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL 正大天晴药业集团股份有限公司 2023-06-08 WO disclosed
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130296279-A1 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. 2013-11-07 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (3 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-20130296279-A1 SUBSTITUTED TETRACYCLINES TET1, TET3, SLC10A2 KMT2A 661/4885KDM4E 788/4885SIGMAR1 2207/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 KMT2A 134/4885KDM4E 195/4885SIGMAR1 3656/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KMT2A 939/4885KDM4E 128/4885SIGMAR1 3998/4885

“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.