SCHEMBL2826832

SCHEMBL2826832

O=C1CCCN1CCCN(C(=O)c1ccco1)c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
USP2 O75604 4/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 4/20 0.48
ALDH1A1 P00352 6/20 0.46
RAD52 P43351 4/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
HPGD P15428 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
PLEC Q15149 1/20 0.38

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
SCHEMBL2830081 0.87 SMN1; SMN2 (0.47) TSHRSMN1; SMN2KDM4EMAPTMAPK1
SCHEMBL2827011 0.85 SMN1; SMN2 (0.39) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2828568 0.85 TSHR (0.53) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2827962 0.85 TSHR (0.69) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2827432 0.73 SMN1; SMN2 (0.50) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2825249 0.73 TSHR (0.71) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2828631 0.72 SMN1; SMN2 (0.55) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2830500 0.72 SMN1; SMN2 (0.52) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2825234 0.71 SMN1; SMN2 (0.51) TSHRSMN1; SMN2KDM4EMAPTUSP2
SCHEMBL2828558 0.71 TSHR (0.51) TSHRSMN1; SMN2KDM4EMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP claimed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US claimed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US claimed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US claimed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP 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 (1 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK TSHR 2723/4885SMN1; SMN2 4020/4885KDM4E 3385/4885

“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.