SCHEMBL3600865

SCHEMBL3600865

N=C(N)Nc1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
ROCK1 Q13464 2/20 0.52
ROCK2 O75116 1/20 0.52
ALOX5 P09917 1/20 0.51
MAOB P27338 2/20 0.50
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP1B1 Q16678 3/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
ACHE P22303 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43

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
Bromide SCHEMBL6829998 0.81 ALOX5 (0.70) MAOAALOX5CYP1A1CYP1A2CYP1B1
SCHEMBL11488983 0.81 NPC1 (0.55) MAOAROCK1ROCK2MAOBMMP2
SCHEMBL7042043 0.81 MAOA (0.60) MAOAROCK1ROCK2ALOX5MAOB
SCHEMBL3594785 0.80 MAPT (0.65) ALOX5NPC1LMNAMEN1ALDH1A1
SCHEMBL3604799 0.80 ALOX5 (0.61) ROCK1ROCK2ALOX5NPC1LMNA
Bromide SCHEMBL6833511 0.80 MAOA (0.59) MAOAROCK1ROCK2ALOX5MAOB
SCHEMBL12297783 0.80 AMY1A (0.72) ALOX5CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL2753346 0.79 MEN1 (0.69) ROCK1LMNAKDM4EMEN1ALDH1A1
SCHEMBL3603727 0.79 GSTO1 (0.60) ALOX5NPC1LMNAKDM4EMEN1
SCHEMBL3598628 0.79 MAPT (0.58) ALOX5NPC1LMNAKDM4EMEN1

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
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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US 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 (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 MAOA 1412/4885ROCK1 550/4885ROCK2 961/4885

“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.