SCHEMBL19571325

SCHEMBL19571325

CC(C)c1ccc(CNCC(N)CNC(=N)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ANPEP P15144 1/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MASP2 O00187 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL11825 0.88 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL12075395 0.88 LMNA (0.42) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL18531878 0.87 BCHE (0.44) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL14083 0.87 CHRM2 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8399380 0.86 MEN1 (0.51) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1
SCHEMBL20124146 0.84 ANPEP (0.37) ALDH1A1ANPEPERAP2MASP2F2
SCHEMBL11981656 0.83 ANPEP (0.50) MEN1KMT2AALDH1A1ANPEPMASP2
SCHEMBL11774 0.83 ANPEP (0.56) MEN1KMT2ARAB9AANPEPERAP2
SCHEMBL18232437 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1ANPEPERAP2
SCHEMBL19573402 0.79 L3MBTL1 (0.50) MEN1KMT2ASMN1; SMN2RAB9AL3MBTL1

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
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 — — EP disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 — — 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-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT MEN1 3022/4885KMT2A 4506/4885SMN1; SMN2 3970/4885

“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.

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