Sugi Predict

Sugi Predict / Compounds / SCHEMBL11236

SCHEMBL11236

SCHEMBL11236

CC1CCC(CNCCCNC(=N)N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SAT1 P21673 1/20 0.49
▸ ALB P02768 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GNAI3 P08754 2/20 0.35
▸ GNAO1 P09471 2/20 0.35

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
SCHEMBL11981486 0.87 SAT1 (0.53) SAT1ALBTDP1HDAC3HDAC4
SCHEMBL20614347 0.83 HDAC3 (0.50) SAT1ALBHDAC3HDAC4HDAC1
SCHEMBL11960429 0.83 SAT1 (0.45) SAT1ALBTDP1HDAC3HDAC4
SCHEMBL20614309 0.83 SAT1 (0.45) SAT1ALBTDP1HDAC3HDAC4
SCHEMBL11482 0.78 CXCR4 (0.36) ALBMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL11445 0.76 TDP1 (0.44) ALBTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL11237 0.75 NAAA (0.44) ALBGNAI3GNAO1GNAI1
SCHEMBL5497332 0.73 MEN1 (0.50) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL13625268 0.72 SAT1 (0.50) SAT1TDP1MEN1KMT2AGNAI3
SCHEMBL7886602 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 — — US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 — — US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 — — US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 — — US 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT SAT1 706/4885ALB 2760/4885TDP1 2413/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT SAT1 706/4885ALB 2760/4885TDP1 2413/4885

“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.