SCHEMBL17620682

SCHEMBL17620682

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 6/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2928930 0.84 KDM4E (0.50) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL3601508 0.81 KDM4E (0.53) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL20518804 0.81 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EHPGDKMT2A
SCHEMBL17620686 0.81 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL17620684 0.77 KDM4E (0.54) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL17620687 0.77 GAA (0.42) ALDH1A1LMNAGAAKDM4EHPGD
SCHEMBL17620688 0.77 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL17620690 0.77 GAA (0.42) ALDH1A1LMNASMN1; SMN2GAAKDM4E
SCHEMBL3588423 0.73 GAA (0.43) ALDH1A1LMNAGAAKDM4EHPGD
SCHEMBL11323481 0.72 GAA (0.52) ALDH1A1GAAKDM4EHPGDKMT2A

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
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 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 (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 993/4885LMNA 4388/4885SMN1; SMN2 147/4885
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 993/4885LMNA 4388/4885SMN1; SMN2 147/4885

“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.