SCHEMBL3608090

SCHEMBL3608090

N=C(N)Nc1nc(-c2cccc(OCCCCCl)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ATP4A P20648 2/20 0.48
ATP4B P51164 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.44
ROCK1 Q13464 5/20 0.43
ROCK2 O75116 3/20 0.43
ABL1 P00519 2/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 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
SCHEMBL3611787 0.86 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3606319 0.86 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3608937 0.85 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3598211 0.83 ATP4A (0.49) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3613302 0.82 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL3602210 0.81 MEN1 (0.43) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL7386925 0.79 MEN1 (0.47) ALDH1A1NPC1RAB9AHPGDHTT
SCHEMBL30660069 0.78 MEN1 (0.58) SMN1; SMN2MEN1KMT2AROCK1ROCK2
SCHEMBL28484317 0.78 MEN1 (0.58) SMN1; SMN2MEN1KMT2AROCK1ROCK2
SCHEMBL3606891 0.78 ABL1 (0.68) ALDH1A1SMN1; SMN2ATP4AATP4BMEN1

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
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-1015438-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 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 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.