SCHEMBL8280835

SCHEMBL8280835

Nc1nc(C2(c3ccc(Cl)cc3)CCCC2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 1.00
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
HSD11B2 P80365 3/20 0.38
HSD11B1 P28845 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL14433407 0.98 BACE1 (0.97) BACE1LTA4HALDH1A1L3MBTL1NPC1
SCHEMBL8280838 0.97 BACE1 (0.94) BACE1LTA4HALDH1A1L3MBTL1NPC1
SCHEMBL8281540 0.88 BACE1 (0.78) BACE1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8282517 0.85 BACE1 (0.74) BACE1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8280834 0.85 BACE1 (0.74) BACE1LTA4HALDH1A1L3MBTL1NPC1
SCHEMBL8280899 0.85 BACE1 (0.74) BACE1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL27183888 0.85 BACE1 (0.74) BACE1LTA4HALDH1A1L3MBTL1NPC1
SCHEMBL3139632 0.84 BACE1 (0.73) BACE1ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL8280887 0.84 BACE1 (0.72) BACE1ALDH1A1L3MBTL1RAB9ASLC6A4
SCHEMBL8281533 0.83 BACE1 (0.71) BACE1ALDH1A1L3MBTL1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
WO-2005097767-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2005-10-20 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 (2 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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP BACE1 2/4885LTA4H 639/4885ALDH1A1 1717/4885
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885LTA4H 3297/4885ALDH1A1 3848/4885

“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.