SCHEMBL3241918

SCHEMBL3241918

Cc1c(Br)cccc1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A9 P48067 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNK3 O14649 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3240602 0.87 SLC6A9 (0.41) ALDH1A1KMT2AMEN1SLC6A9HTT
SCHEMBL8266491 0.87 SLC6A9 (0.37) ALDH1A1KMT2AMEN1SLC6A9HTT
SCHEMBL3230685 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SLC6A9HTT
SCHEMBL3234680 0.84 SLC6A9 (0.42) KMT2AMEN1SLC6A9CYP1A2CYP3A4
SCHEMBL3238116 0.83 SLC6A9 (0.41) KMT2AMEN1SLC6A9CYP1A2CYP3A4
SCHEMBL3236750 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1SLC6A9
SCHEMBL3238470 0.82 SLC6A9 (0.46) ALDH1A1KMT2AMEN1SLC6A9HTT
SCHEMBL3240030 0.82 LMNA (0.36) ALDH1A1KMT2AMEN1SLC6A9HTT
SCHEMBL3239409 0.81 KLRK1 (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3238315 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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 (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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 ALDH1A1 1356/4885KMT2A 1871/4885MEN1 2501/4885

“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.