SCHEMBL14433489

SCHEMBL14433489

Nc1nc(C2(c3cccc(-c4ccccc4)c3)CCCC2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.58
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.41
HPGD P15428 3/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL8280713 0.88 BACE1 (0.70) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL3139632 0.87 BACE1 (0.73) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8281533 0.86 BACE1 (0.71) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL14433436 0.83 BACE1 (0.59) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5479545 0.83 BACE1 (0.59) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL14433422 0.82 BACE1 (0.58) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8279670 0.81 BACE1 (0.63) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8281537 0.80 BACE1 (0.55) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL14433463 0.80 BACE1 (0.55) BACE1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8281930 0.80 BACE1 (0.55) BACE1ALDH1A1RAB9AMEN1KMT2A

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 BACE1 2/4885ALDH1A1 1717/4885RAB9A 3439/4885

“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.