SCHEMBL19254905

SCHEMBL19254905

O=C(Cc1ccc(Br)cc1)NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.72
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
POLB P06746 3/20 0.69
EPHX2 P34913 2/20 0.68
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
SIGMAR1 Q99720 1/20 0.62
LMNA P02545 2/20 0.60
CTDSP1 Q9GZU7 2/20 0.58
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.56

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
SCHEMBL30662307 0.98 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL3213006 0.93 LMNA (0.69) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL16825757 0.85 SIGMAR1 (0.58) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL2636164 0.85 SIGMAR1 (0.58) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL9325905 0.83 NPC1 (1.00) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL19254904 0.83 NPC1 (0.71) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL5053663 0.83 RAB9A (0.71) SMN1; SMN2RAB9ANPC1POLBEPHX2
SCHEMBL2753089 0.82 EPHX2 (0.96) RAB9ANPC1POLBEPHX2ALDH1A1
SCHEMBL23130338 0.81 POLB (1.00) RAB9ANPC1POLBEPHX2ALDH1A1
SCHEMBL15652941 0.81 RAB9A (0.73) SMN1; SMN2RAB9ANPC1POLBEPHX2

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 SMN1; SMN2 4813/4885RAB9A 127/4885NPC1 4739/4885
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor AREG, QRFPR, GPR139 SMN1; SMN2 4713/4885RAB9A 2846/4885NPC1 4867/4885
US-10322112-B2 Compound combinations for attenuation of bacterial virulence PNISR, BLVRB, PGLS SMN1; SMN2 4848/4885RAB9A 286/4885NPC1 4653/4885
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor AREG, QRFPR, GPR139 SMN1; SMN2 4713/4885RAB9A 2846/4885NPC1 4867/4885

“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.