SCHEMBL3573555

SCHEMBL3573555

CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 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
SCHEMBL28468245 0.87 KMT2A (0.52) ALDH1A1KDM4ESMN1; SMN2SPHK1MEN1
SCHEMBL22453467 0.86 LTA4H (0.52) ALDH1A1KDM4ETSHRSMN1; SMN2HDAC8
SCHEMBL15919470 0.82 DGAT1 (0.39) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL31328475 0.81 KDM4E (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2MMP13
SCHEMBL200203 0.80 CD274 (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2SPHK1
SCHEMBL200204 0.80 CD274 (0.51) ALDH1A1KDM4ETSHRSMN1; SMN2SPHK1
SCHEMBL24109271 0.78 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL27380678 0.75 KDM4E (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1
SCHEMBL29144820 0.75 KDM4E (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1
SCHEMBL2607025 0.75 HSD17B10 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 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 (3 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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 ALDH1A1 1649/4885KDM4E 4094/4885TSHR 396/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 ALDH1A1 1649/4885KDM4E 4094/4885TSHR 396/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 ALDH1A1 1821/4885KDM4E 4091/4885TSHR 420/4885

“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.