SCHEMBL11825

SCHEMBL11825

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRB2 P07550 1/20 0.37
KLKB1 P03952 1/20 0.37
IDO1 P14902 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL19571325 0.88 MEN1 (0.43) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11981710 0.88 LMNA (0.42) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL18531878 0.87 BCHE (0.44) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12288 0.87 DNM1 (0.40) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11960442 0.83 ANPEP (0.52) CA1CA2ANPEPERAP2
SCHEMBL8399380 0.82 MEN1 (0.51) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19573402 0.79 L3MBTL1 (0.50) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18232437 0.76 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL19719291 0.76 L3MBTL1 (0.40) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12075395 0.76 LMNA (0.42) L3MBTL1RAB9AMEN1KMT2ASMN1; SMN2

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
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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 (2 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-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT L3MBTL1 577/4885RAB9A 3199/4885MEN1 3022/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT L3MBTL1 577/4885RAB9A 3199/4885MEN1 3022/4885

“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.