SCHEMBL5024419

SCHEMBL5024419

CCCCNCCNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
ACHE P22303 8/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
EPHX1 P07099 2/20 0.45
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CTSK P43235 2/20 0.41
HTT P42858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL6528214 0.95 MAOA (0.58) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL25963905 0.93 MAOA (0.60) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL25963877 0.93 MAOA (0.60) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL17101208 0.93 MAOA (0.60) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL13488504 0.93 MAOA (0.53) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL3086365 0.93 MAOA (0.60) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL18875937 0.93 MAOA (0.59) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL8270674 0.93 MAOA (0.64) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL8242794 0.91 TDP1 (0.67) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL13247413 0.89 MAOA (0.63) MAOAMAOBTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 MAOA 3269/4885MAOB 2018/4885TDP1 2111/4885

“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.