SCHEMBL1069018

SCHEMBL1069018

CC(C)(C)N(C(=O)O)c1nc(CCl)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 5/20 0.36
GFER P55789 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CFTR P13569 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL14136807 0.86 MEN1 (0.38) LMNAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL16095811 0.85 MEN1 (0.38) LMNAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL14136800 0.85 MEN1 (0.38) LMNAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL15154610 0.85 MEN1 (0.38) LMNAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL4962084 0.82 MEN1 (0.39) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4958169 0.78 MEN1 (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL702921 0.76 GRM5 (0.32) LMNAALDH1A1KMT2ARAB9ANPC1
SCHEMBL20480716 0.75 PLA2G4A (0.34) ALDH1A1SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL703629 0.74 MEN1 (0.30) KMT2AMEN1L3MBTL1
SCHEMBL1860031 0.73 LMNA (0.56) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328067-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2016-05-03 US disclosed
US-8791161-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-07-29 US disclosed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-26 US disclosed
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-27 US disclosed
US-8450367-B2 Sulfur derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-05-28 US disclosed
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-21 US disclosed
EP-2271639-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
US-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-11 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US 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 (5 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-20100286173-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD LMNA 3693/4885ALDH1A1 3328/4885KDM4E 525/4885
US-20120157487-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885ALDH1A1 2553/4885KDM4E 4813/4885
US-20130165460-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885ALDH1A1 2553/4885KDM4E 4813/4885
US-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 LMNA 3271/4885ALDH1A1 2834/4885KDM4E 1973/4885
US-20130252984-A1 SULFUR DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CX3CR1, CXCR2, CCR2 LMNA 4884/4885ALDH1A1 2553/4885KDM4E 4813/4885

“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.