SCHEMBL20518804

SCHEMBL20518804

O=C(O)c1cn2c3c(sc2n1)C(=O)CCC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
GRM5 P41594 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ELANE P08246 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
SCHEMBL17620987 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7479395 0.77 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL17620969 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
Bromide SCHEMBL7479450 0.76 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL17620668 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL17621011 0.72 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL17620671 0.71 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL17620669 0.71 NPC1 (0.33) ALDH1A1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7488237 0.70 TNKS2 (0.36) ALDH1A1SMN1; SMN2POLBKMT2ATSHR
Bromide SCHEMBL7483044 0.69 TNKS2 (0.35) ALDH1A1SMN1; SMN2POLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US claimed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 US claimed
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 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 (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-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 ALDH1A1 993/4885SMN1; SMN2 147/4885NPC1 2457/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 ALDH1A1 993/4885SMN1; SMN2 147/4885NPC1 2457/4885

“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.