SCHEMBL4950581

SCHEMBL4950581

NC(=O)c1ccccc1-c1nsc(NC(=O)[CH]CCc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HTT P42858 2/20 0.40
ADORA3 P0DMS8 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL4949391 0.83 SIRT2 (0.35) NPC1RAB9AMEN1KMT2ASIRT2
SCHEMBL4949852 0.81 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7873448 0.71 MAPT (0.48) NPC1RAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL4949867 0.70 GSTO1 (0.49) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL4949660 0.67 MEN1 (0.36) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4952246 0.67 ACHE (0.41) NPC1RAB9ASMN1; SMN2ADORA3MEN1
SCHEMBL5184585 0.67 GSTO1 (0.64) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL4945042 0.66 SIRT2 (0.40) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL5183397 0.66 GSTO1 (0.56) NPC1RAB9ASMN1; SMN2HTTADORA3
SCHEMBL4951232 0.65 ATAD2 (0.49) NPC1RAB9ASMN1; SMN2ADORA3LMNA

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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
EP-1758920-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2007-03-07 EP disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 US disclosed
WO-2005113579-A1 BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS MPEX PHARMACEUTICALS, INC. (US) 2005-12-01 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 (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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 NPC1 503/4885RAB9A 534/4885SMN1; SMN2 4453/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 NPC1 97/4885RAB9A 463/4885SMN1; SMN2 4838/4885

“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.