SCHEMBL17620987

SCHEMBL17620987

O=C(O)c1cn2c3c(sc2n1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 3/20 0.56
TP53 P04637 2/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
HDAC6 Q9UBN7 1/20 0.51
GAA P10253 3/20 0.48
NFKB1 P19838 1/20 0.48
GFER P55789 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MITF O75030 1/20 0.36
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL17620969 0.98 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL14491526 0.83 HDAC6 (0.50) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL9531484 0.82 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL5073180 0.80 NPC1 (0.36) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL3601508 0.79 KDM4E (0.53) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17620686 0.78 ALDH1A1 (0.52) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL20518804 0.78 ALDH1A1 (0.35) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17621010 0.77 FABP4 (0.39) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17620989 0.77 FABP4 (0.38) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL8402892 0.77 HDAC6 (0.64) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT

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 6 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-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
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 993/4885RAB9A 2262/4885KMT2A 2868/4885
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 993/4885RAB9A 2262/4885KMT2A 2868/4885

“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.