SCHEMBL14433451

SCHEMBL14433451

Nc1nc(C2CCc3ccccc3C2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
PLAU P00749 1/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL14433447 0.92 RAB9A (0.46) RAB9AMAPTPLAUHSD17B10SMN1; SMN2
SCHEMBL14433445 0.91 ALDH1A1 (0.44) RAB9AMAPTPLAUHSD17B10SMN1; SMN2
SCHEMBL8281898 0.89 ALDH1A1 (0.47) RAB9AMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL14433449 0.84 HSD17B10 (0.43) RAB9AMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL14433464 0.79 MEN1 (0.40) RAB9AMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL14433452 0.79 CHRM2 (0.49)
SCHEMBL965277 0.74
SCHEMBL25395137 0.74 RAB9A (0.38) RAB9AMAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL3199075 0.74 PLAU (0.40) PLAUPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3467895 0.73 PIK3CD (0.43) PLAUKDM4EALDH1A1PIK3CDPIK3CA

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 2 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

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 RAB9A 3439/4885MAPT 43/4885PLAU 1078/4885

“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.