SCHEMBL8280899

SCHEMBL8280899

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

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.74
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HSD11B1 P28845 1/20 0.33
NOS1 P29475 1/20 0.31

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
SCHEMBL8281540 0.88 BACE1 (0.78) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL8279666 0.86 BACE1 (0.55) BACE1ALDH1A1SMN1; SMN2GPR55MEN1
SCHEMBL8280834 0.85 BACE1 (0.74) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL8280835 0.85 BACE1 (1.00) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL8282517 0.85 BACE1 (0.74) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL27183888 0.85 BACE1 (0.74) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL3139632 0.84 BACE1 (0.73) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL8280887 0.84 BACE1 (0.72) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL14433407 0.84 BACE1 (0.97) BACE1ALDH1A1L3MBTL1SMN1; SMN2GPR55
SCHEMBL8281533 0.83 BACE1 (0.71) BACE1ALDH1A1L3MBTL1SMN1; 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 2/4885ALDH1A1 1717/4885L3MBTL1 2963/4885

“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.