SCHEMBL11555

SCHEMBL11555

CCC(=O)NCCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.43
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 1/20 0.41
CXCR4 P61073 1/20 0.41
ADRA1A P35348 1/20 0.40

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
SCHEMBL31036048 0.94 MEN1 (0.53) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL8572773 0.90 MEN1 (0.56) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL11981498 0.87 SMN1; SMN2 (0.50) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL20124225 0.86 GNAI3 (0.49) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL6196093 0.84 SMN1; SMN2 (0.57) TP53SMN1; SMN2MEN1KMT2ADRD2
SCHEMBL18628072 0.83 SMN1; SMN2 (0.49) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL5230823 0.83 SMN1; SMN2 (0.56) TP53SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8139296 0.83 MEN1 (0.49) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL5570062 0.83 TP53 (0.60) TP53SMN1; SMN2MEN1KMT2ASIGMAR1
SCHEMBL22162649 0.83 TP53 (0.79) TP53SMN1; SMN2MEN1KMT2ASIGMAR1

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
WO-2019165229-A1 SMALL MOLECULES FOR INDUCING SELECTIVE PROTEIN DEGRADATION AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed
EP-3421476-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2019-01-02 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
WO-2017044849-A1 CYANO THIENOTRIAZOLODIAZEPINES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-03-16 WO 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 TP53 2859/4885SMN1; SMN2 3970/4885MEN1 3022/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT TP53 2859/4885SMN1; 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.