SCHEMBL3613302

SCHEMBL3613302

COc1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 2/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ATP4A P20648 3/20 0.65
ATP4B P51164 3/20 0.65
CSNK2A1 P68400 1/20 0.60
CYP1A2 P05177 2/20 0.60
CYP1A1 P04798 1/20 0.60
CYP1B1 Q16678 1/20 0.60
PAX8 Q06710 1/20 0.57
MAOA P21397 3/20 0.57
MAOB P27338 3/20 0.57
MAPT P10636 3/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL10809915 0.85 MEN1 (0.86) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL10923238 0.85 ALDH1A1 (0.83) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3595657 0.84 PTGS2 (0.66) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL4322683 0.84 MEN1 (0.60) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3604035 0.83 ATP4A (0.56) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL11087776 0.83 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL28911472 0.83 NPC1 (0.68) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL30118253 0.83 NPC1 (0.68) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3608937 0.82 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3597000 0.82 MEN1 (0.73) ALDH1A1NPC1RAB9AHPGDHTT

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 7 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
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885NPC1 267/4885RAB9A 1024/4885

“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.