SCHEMBL19254904

SCHEMBL19254904

O=C(Cc1ccc(I)cc1)NC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
POLB P06746 2/20 0.69
EPHX2 P34913 4/20 0.68
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SIGMAR1 Q99720 4/20 0.62
LMNA P02545 2/20 0.60
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL18307122 0.93 LMNA (0.69) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL5053663 0.83 RAB9A (0.71) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL19254905 0.83 SMN1; SMN2 (0.72) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL9325905 0.83 NPC1 (1.00) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL2753089 0.82 EPHX2 (0.96) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL23130338 0.81 POLB (1.00) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL15652941 0.81 RAB9A (0.73) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL30662307 0.81 SMN1; SMN2 (0.74) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL23686078 0.81 NPC1 (0.73) NPC1RAB9APOLBEPHX2ALDH1A1
SCHEMBL25893862 0.81 RAB9A (0.73) NPC1RAB9APOLBEPHX2ALDH1A1

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-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-02-15 US disclosed
US-10322112-B2 Compound combinations for attenuation of bacterial virulence WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-16 US disclosed
US-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-17 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 (4 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-20170231962-A1 Compound Combinations for Attenuation of Bacterial Virulence PNISR, PGLS, QRFPR NPC1 4739/4885RAB9A 127/4885POLB 3661/4885
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor AREG, QRFPR, GPR139 NPC1 4867/4885RAB9A 2846/4885POLB 4226/4885
US-10322112-B2 Compound combinations for attenuation of bacterial virulence PNISR, BLVRB, PGLS NPC1 4653/4885RAB9A 286/4885POLB 3787/4885
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor AREG, QRFPR, GPR139 NPC1 4867/4885RAB9A 2846/4885POLB 4226/4885

“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.