SCHEMBL5201218

SCHEMBL5201218

NC(=O)C1=NNC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
GFER P55789 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MME P08473 1/20 0.33

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
SCHEMBL337724 0.80 NPC1 (0.44) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL13938473 0.78 NPC1 (0.46) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL10045647 0.75 LMNA (0.44) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL27040299 0.70 LMNA (0.40) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL28037624 0.69 GAA (0.54) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL3856105 0.68
SCHEMBL19701378 0.68 SMYD3 (0.70) SMYD3NPC1RAB9AMAPTL3MBTL1
SCHEMBL13779949 0.67 ALDH1A1 (0.59) NPC1RAB9AMAPTRXFP1GFER
Hydrochloric Acid SCHEMBL4707137 0.67
SCHEMBL18780818 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356330-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-11-20 EP disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 US disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (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-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 SMYD3 3872/4885NPC1 2080/4885RAB9A 732/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 SMYD3 1271/4885NPC1 122/4885RAB9A 1478/4885
US-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 SMYD3 3872/4885NPC1 2080/4885RAB9A 732/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 SMYD3 1271/4885NPC1 122/4885RAB9A 1478/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 SMYD3 979/4885NPC1 86/4885RAB9A 1258/4885

“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.