SCHEMBL3079952

SCHEMBL3079952

O=S(=O)(NCC1CCCO1)c1ccc(Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.79
SMN1; SMN2 Q16637 6/20 0.79
NR2F2 P24468 1/20 0.79
RAB9A P51151 1/20 0.79
CXCR4 P61073 1/20 0.73
LMNA P02545 7/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPT P10636 1/20 0.71
HTT P42858 3/20 0.70
SLC12A2 P55011 1/20 0.70
SLC12A5 Q9H2X9 1/20 0.70
HPGD P15428 1/20 0.65
POLB P06746 1/20 0.62
NPC1 O15118 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL13297977 0.86 SLC12A2 (0.92) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL19264910 0.86 SLC12A2 (0.92) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL1423782 0.86 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL4763389 0.86 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL4077665 0.85 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL10282764 0.83 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL28001439 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL12169365 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL14132588 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4
SCHEMBL1874466 0.81 LMNA (0.72) ALDH1A1SMN1; SMN2NR2F2RAB9ACXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2010-12-16 US disclosed
US-7790710-B2 Imidazopyridine derivatives useful as iNOS inhibitors NYCOMED GMBH (DE) 2010-09-07 US disclosed
EP-1866306-B1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2009-06-17 EP disclosed
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
EP-1866306-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS Nycomed GmbH (DE) 2007-12-19 EP disclosed
WO-2006103255-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2006-10-05 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-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NOS2, NOS1, ARG1 ALDH1A1 291/4885SMN1; SMN2 3333/4885NR2F2 1705/4885
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NOS2, NOS1, ARG1 ALDH1A1 291/4885SMN1; SMN2 3333/4885NR2F2 1705/4885

“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.