SCHEMBL19573402

SCHEMBL19573402

CC(C)c1ccc(CNCCCNC(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MCHR1 Q99705 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NPC1 O15118 2/20 0.38

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
SCHEMBL14853409 0.83 CHRM2 (0.59) SMN1; SMN2RAB9AMEN1KMT2ACHRM2
SCHEMBL11981522 0.83 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8399380 0.82 MEN1 (0.51) L3MBTL1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL10045143 0.82 L3MBTL1 (0.64) L3MBTL1MCHR1SMN1; SMN2RAB9ACACNA1G
SCHEMBL10045173 0.81 L3MBTL1 (0.62) L3MBTL1MCHR1SMN1; SMN2LMNACHRM2
SCHEMBL10045171 0.81 L3MBTL1 (0.62) L3MBTL1MCHR1SMN1; SMN2LMNACHRM2
SCHEMBL12997107 0.80 F10 (0.49) L3MBTL1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL11960431 0.79 HDAC3 (0.56) KMT2A
SCHEMBL19571325 0.79 MEN1 (0.43) L3MBTL1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL11825 0.79 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2RAB9AMEN1KMT2A

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-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

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 577/4885MCHR1 3280/4885SMN1; SMN2 3970/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT L3MBTL1 577/4885MCHR1 3280/4885SMN1; 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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