SCHEMBL809708

SCHEMBL809708

CCCc1cc2c(Cl)ncnc2s1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELE P16581 6/20 0.76
VCAM1 P19320 6/20 0.76
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ICAM1 P05362 5/20 0.42
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3799246 0.86 SELE (1.00) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL19687718 0.83 SELE (0.66) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL19687717 0.83 SELE (0.65) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL810425 0.80 SELE (0.49) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL4388091 0.79 SELE (0.70) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL1604838 0.79 SELE (0.69) SELEVCAM1MEN1KMT2AICAM1
SCHEMBL1969648 0.77 SELE (0.45) SELEVCAM1MEN1KMT2AKDM4E
SCHEMBL19838140 0.76 SELE (0.65) SELEVCAM1MEN1KMT2AKDM4E
SCHEMBL16031220 0.75 SELE (0.64) SELEVCAM1MEN1KMT2A
SCHEMBL29737503 0.75 SELE (0.64) SELEVCAM1MEN1KMT2A

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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 (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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 SELE 1844/4885VCAM1 1503/4885MEN1 4571/4885

“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.