SCHEMBL17620992

SCHEMBL17620992

CCOC(=O)c1nc2sc3c(Cl)c(F)ccc3n2c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 8/20 0.36
▸ HPGD P15428 6/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ ELANE P08246 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TARBP2 Q15633 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL17621043 0.87 ALDH1A1 (0.41) KDM4EHPGDL3MBTL1MAPTALDH1A1
SCHEMBL17621050 0.85 ELANE (0.37) KDM4EHPGDPOLBMAPTALDH1A1
SCHEMBL17620958 0.84 DHODH (0.38) KDM4EHPGDPOLBMAPTALDH1A1
SCHEMBL17621080 0.83 MEN1 (0.32) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17621042 0.80 HPGD (0.37) HPGDMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL17620953 0.79 ADORA2B (0.34) KDM4EL3MBTL1MAPTALDH1A1ELANE
SCHEMBL17620954 0.79 WDR5 (0.33) KDM4EHPGDL3MBTL1MAPTALDH1A1
SCHEMBL17621044 0.79 L3MBTL1 (0.42) KDM4EL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL17621055 0.76 RXFP1 (0.36) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL17620678 0.74 GAA (0.44) KDM4EPOLBMAPTCYP1A2GABRA2

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 HDAC3 3062/4885HDAC4 1512/4885HDAC1 1450/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 HDAC3 3062/4885HDAC4 1512/4885HDAC1 1450/4885

“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.

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