SCHEMBL17610001

SCHEMBL17610001

O=[N+]([O-])c1ccc(Cl)c(F)c1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.41
VCAM1 P19320 8/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
HIF1A Q16665 2/20 0.36
HPGD P15428 2/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
PDE7A Q13946 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL30490230 0.82 TDP1 (0.57) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL8013048 0.82 TDP1 (0.57) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL29417506 0.80 TDP1 (0.67) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL306584 0.80 TDP1 (0.67) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL10433732 0.80 TDP1 (0.48) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL11079893 0.77 TDP1 (0.52) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL6450803 0.77 TDP1 (0.52) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL14744408 0.77 ALDH1A1 (0.53) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL27751205 0.77 TDP1 (0.52) TDP1TSHRMAPK1ATMVCAM1
SCHEMBL11330182 0.77 TDP1 (0.52) TDP1TSHRMAPK1VCAM1ALDH1A1

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 3 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 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 TDP1 394/4885TSHR 2632/4885MAPK1 490/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 TDP1 394/4885TSHR 2632/4885MAPK1 490/4885

“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.