SCHEMBL11938

SCHEMBL11938

CC(C)(C)C1CCN(CCCCCNC(=N)N)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR3 P25089 1/20 0.35
BCHE P06276 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CCR3 P51677 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ALB P02768 1/20 0.33
RAD52 P43351 1/20 0.33
HTR1A P08908 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL11960430 0.94 SMN1; SMN2 (0.37) SIGMAR1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11960437 0.87 SIGMAR1 (0.43) SIGMAR1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL20124153 0.82 SIGMAR1 (0.39) SIGMAR1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL16687691 0.82 SIGMAR1 (0.39) SIGMAR1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11960425 0.81 SMN1; SMN2 (0.45) SIGMAR1SMN1; SMN2CYP1A2FPR3
SCHEMBL11981726 0.80 SIGMAR1 (0.40) SIGMAR1SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11048 0.76 USP2 (0.39) MEN1KMT2A
SCHEMBL12062271 0.75 GNAI3 (0.36) SIGMAR1SMN1; SMN2CYP1A2BCHEGNAI3
SCHEMBL20124090 0.74 SIGMAR1 (0.46) SIGMAR1FPR3BCHEGNAI3GNAO1
SCHEMBL11050 0.74 SIGMAR1 (0.46) SIGMAR1FPR3BCHEGNAI3GNAO1

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 9 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
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-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 (4 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 SIGMAR1 3393/4885SMN1; SMN2 3970/4885MEN1 3022/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT SIGMAR1 3393/4885SMN1; SMN2 3970/4885MEN1 3022/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT SIGMAR1 3393/4885SMN1; SMN2 3970/4885MEN1 3022/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT SIGMAR1 3393/4885SMN1; SMN2 3970/4885MEN1 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.