SCHEMBL2735524

SCHEMBL2735524

CC1CCC(NC(=O)C(N)C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
EPHX1 P07099 1/20 0.47
SMYD3 Q9H7B4 1/20 0.41
XIAP P98170 1/20 0.40
ARG1 P05089 4/20 0.39
ARG2 P78540 4/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.36
ADRA2A P08913 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MELK Q14680 1/20 0.36

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
SCHEMBL14655011 1.00 KMT2A (0.48) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL5967831 0.92 SMYD3 (0.46) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL15054947 0.92 SMYD3 (0.46) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL28661580 0.92 SMYD3 (0.46) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL2735533 0.89 MEN1 (0.40) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL17690658 0.85 EPHX2 (0.50) KMT2AMEN1LMNASMYD3XIAP
SCHEMBL17690660 0.85 EPHX2 (0.50) KMT2AMEN1LMNASMYD3XIAP
SCHEMBL25069101 0.85 EPHX1 (0.43) EPHX1SMYD3ARG1ARG2DPP4
SCHEMBL22629584 0.85 EPHX1 (0.50) KMT2AMEN1LMNAEPHX1SMYD3
SCHEMBL1953167 0.85 EPHX1 (0.47) EPHX1DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
EP-1875903-B1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES NABRIVA THERAPEUTICS AG (AT) 2010-07-28 EP disclosed
EP-1875903-A1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Nabriva Therapeutics Forschungs GmbH (AT) 2008-01-09 EP disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 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-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH KMT2A 4575/4885MEN1 559/4885LMNA 1879/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH KMT2A 4575/4885MEN1 559/4885LMNA 1879/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A KMT2A 30/4885MEN1 2603/4885LMNA 1018/4885

“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.