SCHEMBL6313709

SCHEMBL6313709

O=[N+]([O-])Nc1cc(Cl)ncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
AHR P35869 1/20 0.33
ALDH1A1 P00352 4/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TLR9 Q9NR96 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL14868720 0.82 CHRNB2 (0.36) CHRNB2CHRNA4AHRALDH1A1HTT
SCHEMBL2371062 0.82 CHRNB2 (0.36) CHRNB2CHRNA4AHRKMT2AMEN1
SCHEMBL31523267 0.75 MAPK1 (0.41) ALDH1A1TSHRLMNAMAPK1HTT
SCHEMBL1625817 0.74 TSHR (0.41) AHRALDH1A1TSHRLMNAMAPK1
SCHEMBL17967795 0.72 MAPT (0.38) CHRNB2CHRNA4AHRALDH1A1TSHR
SCHEMBL12489778 0.71 TSHR (0.44) AHRALDH1A1TSHRLMNAMAPK1
SCHEMBL14941503 0.70 NNMT (0.34) ALDH1A1LMNAMAPK1HTTKMT2A
SCHEMBL10610192 0.69 KMT2A (0.47) TSHRMAPK1KMT2AMEN1POLB
SCHEMBL32681751 0.69 TSHR (0.42) AHRALDH1A1TSHRLMNAMAPK1
SCHEMBL21246720 0.68 KCNQ3 (0.37) KMT2AMEN1NPC1POLBRAB9A

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-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 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 (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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA CHRNB2 4848/4885CHRNA4 4376/4885AHR 2488/4885

“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.