SCHEMBL3608371

SCHEMBL3608371

N=C(N)Nc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.64
ATP4A P20648 3/20 0.62
ATP4B P51164 3/20 0.62
LMNA P02545 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A1 P04798 3/20 0.54
CYP1B1 Q16678 3/20 0.54
CYP1A2 P05177 2/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PTGS2 P35354 1/20 0.51
RORC P51449 1/20 0.51
MEN1 O00255 2/20 0.50
CCKAR P32238 1/20 0.49
KDM1A O60341 1/20 0.49
MPL P40238 1/20 0.48

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
SCHEMBL30660073 1.00 GSTO1 (0.64) GSTO1ATP4AATP4BLMNAKMT2A
SCHEMBL11239260 0.85 ATP4A (0.47) GSTO1ATP4AATP4BLMNAKMT2A
SCHEMBL3609963 0.85 GSTO1 (0.61) GSTO1ATP4AATP4BSMN1; SMN2RAB9A
SCHEMBL3612827 0.85 ATP4A (0.47) GSTO1ATP4AATP4BLMNAKMT2A
SCHEMBL3598222 0.85 PKM (0.65) GSTO1ATP4AATP4BLMNACYP1A1
SCHEMBL3610620 0.84 ATP4A (0.49) GSTO1ATP4AATP4BKMT2ASMN1; SMN2
SCHEMBL3597985 0.84 ATP4A (0.61) GSTO1ATP4AATP4BLMNATHRB
SCHEMBL10949620 0.84 GSTO1 (0.73) GSTO1ATP4AATP4BLMNAKMT2A
SCHEMBL10813553 0.84 GSTO1 (0.73) GSTO1ATP4AATP4BLMNAKMT2A
SCHEMBL3607242 0.83 AMY1A (0.64) LMNAKMT2ASMN1; SMN2RORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100113802-A1 PROCESS FOR PREPARING AMORPHOUS ATORVASTATIN HEMI CALCIUM SALT AND ITS ITERMEDIATE CADILA PHARMACEUTICALS LIMITED (IN) 2010-05-06 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 GSTO1 1072/4885ATP4A 996/4885ATP4B 1107/4885
US-20100113802-A1 PROCESS FOR PREPARING AMORPHOUS ATORVASTATIN HEMI CALCIUM SALT AND ITS ITERMEDIATE HMGCR, DHCR7, SPR GSTO1 2142/4885ATP4A 444/4885ATP4B 592/4885

“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.