SCHEMBL4006935

SCHEMBL4006935

O=[N+]([O-])c1ccc2[nH]c(S(=O)(=O)Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 8/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.44
NOS1 P29475 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
CASP3 P42574 1/20 0.43
MMP13 P45452 1/20 0.43

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
Hydrochloric Acid SCHEMBL6534097 0.99 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL16134487 0.85 L3MBTL1 (0.54) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL10466630 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL10466098 0.81 KDM4E (0.47) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL10465038 0.80 ALDH1A1 (0.46) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL7366348 0.80 KMT2A (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL27912243 0.79 ALDH1A1 (0.45) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL1541188 0.78 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL8559038 0.78 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL18537878 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT ALDH1A1 2554/4885TDP1 3264/4885MAPT 3826/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT ALDH1A1 311/4885TDP1 1240/4885MAPT 4086/4885

“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.