SCHEMBL8280838

SCHEMBL8280838

Nc1nc(C2(c3ccc(Cl)cc3)CCC2)cs1

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.94
LTA4H P09960 1/20 0.41
HSD11B2 P80365 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD11B1 P28845 8/20 0.39
NR1I2 O75469 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8280835 0.97 BACE1 (1.00) BACE1LTA4HHSD11B2NPC1RAB9A
SCHEMBL14433407 0.95 BACE1 (0.97) BACE1LTA4HHSD11B2NPC1RAB9A
SCHEMBL29310877 0.85 BACE1 (0.69) BACE1LTA4HHSD11B2NPC1RAB9A
SCHEMBL27183644 0.85 BACE1 (0.69) BACE1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL8281540 0.84 BACE1 (0.78) BACE1HSD11B2NPC1RAB9ASMN1; SMN2
SCHEMBL8280834 0.82 BACE1 (0.74) BACE1LTA4HHSD11B2NPC1RAB9A
SCHEMBL8282517 0.82 BACE1 (0.74) BACE1HSD11B2NPC1RAB9AHSD11B1
SCHEMBL8280899 0.82 BACE1 (0.74) BACE1NPC1RAB9AHSD11B1SMN1; SMN2
SCHEMBL27183888 0.82 BACE1 (0.74) BACE1LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL3139632 0.81 BACE1 (0.73) BACE1NPC1RAB9ASMN1; SMN2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP BACE1 2/4885LTA4H 639/4885HSD11B2 1564/4885

“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.