SCHEMBL3602636

SCHEMBL3602636

N=C(N)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.65
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GSTO1 P78417 1/20 0.60
ALOX5 P09917 6/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
VCP P55072 2/20 0.59
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
DEGS1 O15121 1/20 0.59
MAP4K4 O95819 1/20 0.59
CYP3A4 P08684 1/20 0.59
AMY1A P0DUB6 1/20 0.59
TSHR P16473 1/20 0.59
MAPKAPK2 P49137 1/20 0.59
PIM3 Q86V86 1/20 0.59
MINK1 Q8N4C8 1/20 0.59
SPHK2 Q9NRA0 1/20 0.59

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
SCHEMBL3604799 0.86 ALOX5 (0.61) ABL1NPC1RAB9AGSTO1ALOX5
SCHEMBL3594785 0.86 MAPT (0.65) NPC1RAB9AALOX5MAPTMEN1
SCHEMBL3607468 0.85 ABL1 (0.51) ABL1NPC1RAB9AGSTO1ALOX5
SCHEMBL3610442 0.85 ALOX5 (0.59) NPC1RAB9AALOX5MAPTMEN1
SCHEMBL3603727 0.85 GSTO1 (0.60) NPC1RAB9AGSTO1ALOX5MAPT
SCHEMBL30660071 0.85 MAPT (0.48) ABL1RAB9AGSTO1ALOX5MAPT
SCHEMBL6638228 0.85 ABL1 (0.74) ABL1NPC1RAB9AGSTO1ALOX5
SCHEMBL3598628 0.85 MAPT (0.58) NPC1RAB9AGSTO1ALOX5MAPT
SCHEMBL3610890 0.85 MAPT (0.64) ABL1NPC1RAB9AALOX5MAPT
SCHEMBL3603436 0.84 MEN1 (0.61) NPC1RAB9AGSTO1ALOX5MAPT

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 15 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
CN-111825633-B Method for synthesizing 2-guanidyl thiazole compounds by one-pot method 西华大学 2023-11-17 CN disclosed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US 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
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (5 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 ABL1 4507/4885NPC1 267/4885RAB9A 1024/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA ABL1 3924/4885NPC1 4841/4885RAB9A 2870/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ABL1 1651/4885NPC1 4782/4885RAB9A 1539/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ABL1 2341/4885NPC1 4747/4885RAB9A 2224/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT ABL1 3446/4885NPC1 4179/4885RAB9A 1450/4885

“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.