SCHEMBL4559778

SCHEMBL4559778

CN(NC(=S)S)C(=O)c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
KMT2A Q03164 3/20 0.35
HTT P42858 3/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 6/20 0.34
GLA P06280 1/20 0.34
PTGES O14684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BAZ1A Q9NRL2 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4559102 0.77 ALDH1A1 (0.36) KMT2AHTTALDH1A1GLAPTGES
SCHEMBL18414587 0.71 ALDH1A1 (0.41) CSF1RKMT2AHTTALDH1A1GLA
SCHEMBL10693252 0.69 HTT (0.36) CSF1RKMT2AHTTATMALDH1A1
SCHEMBL1663200 0.69 CREBBP (0.54) CSF1RKMT2AHTTALDH1A1GLA
SCHEMBL1160193 0.69 MEN1 (0.50) CSF1RKMT2AHTTALDH1A1GLA
SCHEMBL1073975 0.68 ALDH1A1 (0.47) CSF1RKMT2AALDH1A1GLAPOLB
Water SCHEMBL1662781 0.67 ALDH1A1 (0.46) CSF1RKMT2AALDH1A1GLAPOLB
SCHEMBL10472872 0.66 CYP2C19 (0.34) CSF1RKMT2AHTTATMALDH1A1
SCHEMBL4703526 0.65 AR (0.39) CSF1RKMT2AATMMEN1MAPT
SCHEMBL30761569 0.64 ALDH1A1 (0.43) CSF1RKMT2AHTTALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046336-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2009-04-15 EP disclosed
US-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2008-02-21 US disclosed
WO-2008011045-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-b][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2008-01-24 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-20080045514-A1 3-Aryl-6-aryl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, CASP2 CSF1R 2858/4885KMT2A 2333/4885HTT 3128/4885

“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.