SCHEMBL3069963

SCHEMBL3069963

O=C(NCCCN1CCOCC1)c1ccco1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
PKM P14618 1/20 0.62
POLB P06746 1/20 0.62
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
MMP13 P45452 1/20 0.58

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
SCHEMBL1382764 0.80 SMN1; SMN2 (0.95) ALDH1A1SMN1; SMN2KDM4EPOLBGLA
SCHEMBL16373567 0.78 HTT (0.74) ALDH1A1KMT2ASMN1; SMN2GLAGAA
SCHEMBL16266236 0.78 SMN1; SMN2 (1.00) ALDH1A1KMT2ASMN1; SMN2PKMTSHR
SCHEMBL7526242 0.78 POLB (0.66) ALDH1A1KMT2ASMN1; SMN2KDM4EPKM
SCHEMBL30673257 0.77 ALDH1A1 (0.82) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL8291284 0.77 ALDH1A1 (1.00) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL12334129 0.77 ALDH1A1 (0.67) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL14068364 0.76 POLB (0.81) ALDH1A1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL27859665 0.76 GAA (0.57) ALDH1A1KMT2AKDM4EPKMPOLB
SCHEMBL2249600 0.76 TSHR (0.74) ALDH1A1KMT2ASMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
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 disclosed
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 disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 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 (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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885KMT2A 3547/4885SMN1; SMN2 4020/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK ALDH1A1 554/4885KMT2A 3547/4885SMN1; SMN2 4020/4885

“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.