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SCHEMBL17620708

SCHEMBL17620708

CCOC(=O)c1cn2c(n1)sc1c(Cl)c(N3CCCCC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GABRA2 P47869 6/20 0.39
▸ GABRB2 P47870 6/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ PKM P14618 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
SCHEMBL17620718 0.99 NPC1 (0.45) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL17620715 0.90 L3MBTL1 (0.41) KDM4ERXFP1GAAALDH1A1HPGD
SCHEMBL17621012 0.85 GAA (0.47) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL17620729 0.84 KMO (0.39) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL17621015 0.83 KMO (0.40) KDM4EGAAALDH1A1L3MBTL1
SCHEMBL17620677 0.83 GAA (0.46) NPC1RAB9AKDM4EGAAMAPT
SCHEMBL17620678 0.81 GAA (0.44) KDM4EGAAMAPTGABRA2GABRB2
SCHEMBL17620709 0.81 GAA (0.44) NPC1RAB9AKDM4ERXFP1GAA
SCHEMBL17620719 0.80 GAA (0.44) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL17620999 0.77 GAA (0.41) NPC1RAB9AKDM4EGAAMAPT

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 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 NPC1 2457/4885RAB9A 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 NPC1 2457/4885RAB9A 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.