SCHEMBL18232437

SCHEMBL18232437

CC(C)CNCc1ccc(CNC(=N)N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CA2 P00918 3/20 0.41
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
HDAC1 Q13547 2/20 0.39
HPGD P15428 2/20 0.38
ANPEP P15144 4/20 0.37
ERAP2 Q6P179 4/20 0.37
ST14 Q9Y5Y6 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 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
SCHEMBL20077884 0.82 EPHX1 (0.47) CYP2C9
SCHEMBL3672272 0.81 CYP2C9 (0.48) ALDH1A1MEN1MAPTKMT2ACA2
SCHEMBL18235899 0.80 CYP2C9 (0.39) MEN1MAPTKMT2ACA2HPGD
SCHEMBL19571325 0.80 MEN1 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11981491 0.80 IDO1 (0.52) ALDH1A1MEN1MAPTKMT2ACA2
SCHEMBL11981710 0.79 LMNA (0.42) ALDH1A1MEN1MAPTKMT2ACYP1A2
SCHEMBL12075395 0.79 LMNA (0.42) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL16181284 0.79 PARP1 (0.39) CA2HPGDST14CYP2C9CYP2C19
SCHEMBL8399380 0.79 MEN1 (0.51) ALDH1A1MEN1KMT2ACA2HDAC1
SCHEMBL12288 0.78 DNM1 (0.40) ALDH1A1MEN1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-9701628-B2 12-epi pleuromutilins NABRIVA THERAPEUTICS AG (AT) 2017-07-11 US disclosed
US-20160332963-A1 12-EPI PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2016-11-17 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-20160332963-A1 12-EPI PLEUROMUTILINS MLN, TCF12, PLEC ALDH1A1 543/4885MEN1 811/4885MAPT 3856/4885

“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.