SCHEMBL18087175

SCHEMBL18087175

N#C/N=C(\CCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT5 Q96KN8 7/20 0.49
PLAAT4 Q9UL19 7/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
PLAAT3 P53816 6/20 0.43
PLAAT2 Q9NWW9 6/20 0.43
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL19819194 1.00 PLAAT5 (0.49) PLAAT5PLAAT4NPC1RAB9ASMN1; SMN2
SCHEMBL14703133 0.80 PLAAT5 (0.54) PLAAT5PLAAT4NPC1RAB9ASMN1; SMN2
SCHEMBL19819193 0.78 PLAAT5 (0.53) PLAAT5PLAAT4NPC1RAB9ASMN1; SMN2
SCHEMBL14703127 0.78 PLAAT5 (0.53) PLAAT5PLAAT4NPC1RAB9ASMN1; SMN2
SCHEMBL9212709 0.76 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL11701636 0.76 TRPV1 (0.46) LMNA
SCHEMBL11698633 0.75 TRPV1 (0.48) LMNA
SCHEMBL9210616 0.73 ABCB1 (0.50) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL9214596 0.71 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL9212059 0.71 GPR52 (0.42) NPC1RAB9ASMN1; SMN2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879049-B2 Glycopeptide antibiotic analogs effective against vancomycin-resistant bacterial strains THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-30 US disclosed
US-20160272682-A1 GLYCOPEPTIDE ANTIBIOTIC ANALOGS EFFECTIVE AGAINST VANCOMYCIN-RESISTANT BACTERIAL STRAINS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-09-22 US disclosed
US-20160272682-A1 GLYCOPEPTIDE ANTIBIOTIC ANALOGS EFFECTIVE AGAINST VANCOMYCIN-RESISTANT BACTERIAL STRAINS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-09-22 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 (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-20160272682-A1 GLYCOPEPTIDE ANTIBIOTIC ANALOGS EFFECTIVE AGAINST VANCOMYCIN-RESISTANT BACTERIAL STRAINS DDOST, ANPEP, STT3A PLAAT5 1392/4885PLAAT4 786/4885NPC1 2581/4885

“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.