SCHEMBL3608764

SCHEMBL3608764

CCC(=O)N1c2ccc(-c3csc(NC(=N)N)n3)cc2CC1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 7/20 0.53
NR2F2 P24468 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 5/20 0.51
TSHR P16473 1/20 0.51
KLK7 P49862 1/20 0.48
ABL1 P00519 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL3610538 0.89 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3604493 0.89 NPC1 (0.54) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3602577 0.82 KLK7 (0.69) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3598355 0.81 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL27768288 0.78 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3609848 0.75 RAB9A (0.59) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3607158 0.74 RAB9A (0.75) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3603474 0.72 RAB9A (0.71) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3604832 0.72 MAPT (0.78) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17549361 0.71 KLK7 (0.73) ALDH1A1NPC1RAB9ATP53SMN1; SMN2

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 4 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
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

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.