SCHEMBL4171090

SCHEMBL4171090

O=S(=O)=Nc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 6/20 0.49
NOS1 P29475 4/20 0.49
ALDH1A1 P00352 4/20 0.49
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
METAP2 P50579 1/20 0.49
CSNK2A1 P68400 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 4/20 0.46
POLB P06746 1/20 0.46
CLK1 P49759 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45

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
SCHEMBL6314346 0.80 MAPT (0.53) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3514335 0.72 MAPT (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL8022440 0.70 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL277776 0.70 ROCK2 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL28548770 0.68 ROCK2 (0.49) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3997427 0.67 NOS1 (0.55) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3540025 0.66 NOS1 (1.00) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL3995547 0.66 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL31315056 0.66 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2
SCHEMBL907620 0.66 NOS1 (0.59) MAPTKDM4ENOS1ALDH1A1ROCK2

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
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
EP-1487803-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 US disclosed
WO-2003078402-A1 INDAZOLES SUBSTITUTED WITH AN ANTI-CANCEROUS ACTIVITY AVENTIS PHARMA S.A. (FR) 2003-09-25 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 (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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 MAPT 2426/4885KDM4E 980/4885NOS1 1083/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 MAPT 3070/4885KDM4E 1149/4885NOS1 1361/4885

“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.