Sugi Predict

Sugi Predict / Compounds / SCHEMBL11504

SCHEMBL11504

SCHEMBL11504

CCC1CCC(NCCCNC(=N)N)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.36
▸ CXCR4 P61073 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GNAI3 P08754 2/20 0.33
▸ GNAO1 P09471 2/20 0.33
▸ GNAI1 P63096 2/20 0.33
▸ SAT1 P21673 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SQLE Q14534 1/20 0.30

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
SCHEMBL11981707 0.88 ALB (0.35) ALBCXCR4MEN1CYP1A2KMT2A
SCHEMBL18531832 0.84 ALB (0.35) ALBCXCR4MEN1CYP1A2KMT2A
SCHEMBL11482 0.83 CXCR4 (0.36) ALBCXCR4MEN1CYP1A2KMT2A
SCHEMBL11981486 0.82 SAT1 (0.53) ALBMEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10310279 0.80 CXCR4 (0.53) CXCR4MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL18531827 0.79 CXCR4 (0.34) ALBCXCR4MEN1CYP1A2KMT2A
SCHEMBL19571303 0.79 MEN1 (0.38) ALBCXCR4MEN1CYP1A2KMT2A
SCHEMBL11981715 0.78 ALB (0.46) ALBMEN1KMT2ASMN1; SMN2GNAI3
SCHEMBL11981515 0.74 NPC1 (0.40) MEN1KMT2ASMN1; SMN2GNAI3GNAO1
SCHEMBL11981535 0.73 F10 (0.35) ALBALOX15

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 6 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
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 — — 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 (3 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 ALB 2760/4885CXCR4 2733/4885MEN1 3022/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT ALB 2760/4885CXCR4 2733/4885MEN1 3022/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT ALB 2760/4885CXCR4 2733/4885MEN1 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.