SCHEMBL2967753

SCHEMBL2967753

Cc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.56
ALDH1A1 P00352 7/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.53
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
TTR P02766 1/20 0.52
ALB P02768 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.51
HSPB1 P04792 1/20 0.50
AGTR1 P30556 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL31090813 1.00 HPSE (0.56) HPSEALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL31090846 0.90 ALDH1A1 (0.64) ALDH1A1MAPK1SMN1; SMN2HTTPOLB
SCHEMBL18792997 0.87 HTR6 (0.58) HPSEALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL9687621 0.86 TSHR (0.64) ALDH1A1MAPK1SMN1; SMN2TSHRCYP3A4
SCHEMBL810817 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1SMN1; SMN2HTTTSHR
SCHEMBL25518718 0.86 ALDH1A1 (0.64) ALDH1A1MAPK1SMN1; SMN2HTTPOLB
SCHEMBL810877 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2HTTTSHR
SCHEMBL2035923 0.83 LMNA (0.55) ALDH1A1MAPK1SMN1; SMN2HTTPOLB
SCHEMBL9269198 0.83 MAPT (0.57) HPSEALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL31090881 0.83 MAPT (0.57) HPSEALDH1A1MAPK1SMN1; SMN2HTT

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
CN-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
US-5461046-A Analgesics G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
US-5304644-A 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain G. D. SEARLE & CO. (US) 1994-04-19 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 HPSE 65/4885ALDH1A1 2723/4885MAPK1 2917/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 HPSE 65/4885ALDH1A1 2723/4885MAPK1 2917/4885

“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.