SCHEMBL11445

SCHEMBL11445

CC1CCC(CNC(=O)CCNC(=N)N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
ALB P02768 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR2 P41597 1/20 0.33
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11981520 0.88 TDP1 (0.44) TDP1SMN1; SMN2FAAHNPC1RAB9A
SCHEMBL18531883 0.84 TDP1 (0.41) TDP1SMN1; SMN2FAAHNPC1RAB9A
SCHEMBL11960423 0.84 TDP1 (0.41) TDP1SMN1; SMN2FAAHF10PRSS1
SCHEMBL11502 0.80 RAB9A (0.54) SMN1; SMN2NPC1RAB9APRSS1KMT2A
SCHEMBL18531830 0.80 TDP1 (0.37) TDP1SMN1; SMN2FAAHF10PRSS1
SCHEMBL20900509 0.80 TDP1 (0.37) TDP1SMN1; SMN2FAAHF10PRSS1
SCHEMBL11236 0.76 SAT1 (0.49) TDP1SMN1; SMN2ALBMEN1KMT2A
SCHEMBL18235911 0.75 TDP1 (0.50) TDP1FAAHNPC1RAB9AF10
SCHEMBL10630001 0.75 FAAH (0.57) TDP1FAAHCNR1CNR2
SCHEMBL13853870 0.74 SMN1; SMN2 (0.47) TDP1SMN1; SMN2FAAHNPC1RAB9A

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 TDP1 2413/4885SMN1; SMN2 3970/4885FAAH 3110/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT TDP1 2413/4885SMN1; SMN2 3970/4885FAAH 3110/4885

“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.