SCHEMBL3710052

SCHEMBL3710052

O=C(CBr)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.48
CASP3 P42574 3/20 0.47
SENP8 Q96LD8 3/20 0.47
SENP7 Q9BQF6 3/20 0.47
SENP6 Q9GZR1 3/20 0.47
HTT P42858 5/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL27938343 0.82 SMN1; SMN2 (0.54) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL7803762 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL218867 0.77 SMN1; SMN2 (0.53) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL20716078 0.77 LMNA (0.49) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL23529356 0.76 SMN1; SMN2 (0.53) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL1937600 0.76 LMNA (0.54) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL10875025 0.76 CASP3 (0.44) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL2118284 0.76 ATM (0.55) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL6736049 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL7036575 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
WO-2007033080-A2 ALZHEIMER'S DISEASE IMAGING AGENTS EMORY UNIVERSITY (US) 2007-03-22 WO disclosed
WO-2007033080-A2 ALZHEIMER'S DISEASE IMAGING AGENTS EMORY UNIVERSITY (US) 2007-03-22 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 (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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK GSK3B 457/4885SMN1; SMN2 1778/4885CASP3 2144/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 GSK3B 254/4885SMN1; SMN2 917/4885CASP3 2924/4885
US-20080219922-A1 Alzheimer's Disease Imaging Agents APP, PSEN1, MAPT GSK3B 249/4885SMN1; SMN2 1690/4885CASP3 3534/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 GSK3B 254/4885SMN1; SMN2 917/4885CASP3 2924/4885

“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.