SCHEMBL16293127

SCHEMBL16293127

CC(C)(C)OC(=O)Cn1ccc2ccc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
FPR2 P25090 4/20 0.40
CCR9 P51686 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CXCR3 P49682 1/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL16293902 0.85 HDAC6 (0.41) HDAC6FPR2MTNR1AMTNR1BKDM4E
SCHEMBL31637252 0.82 HDAC6 (0.43) HDAC6FPR2KDM4EALDH1A1KMT2A
SCHEMBL3592491 0.78 MTNR1A (0.52) HDAC6FPR2MTNR1AKDM4EALDH1A1
SCHEMBL15156838 0.78 KMT2A (0.47) CCR9MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL23055231 0.77 ALDH1A1 (0.38) FPR2CCR9KDM4EALDH1A1KMT2A
SCHEMBL16688836 0.76 HDAC1 (0.43) HDAC6FPR2KDM4EALDH1A1KMT2A
SCHEMBL31357866 0.76 HSP90AA1 (0.46) CCR9KMT2ALMNAHSP90AA1HSP90AB1
SCHEMBL23885578 0.75 HDAC6 (0.50) HDAC6FPR2HSP90AA1HSP90AB1
SCHEMBL25212005 0.74 HDAC6 (0.38) HDAC6FPR2KDM4EALDH1A1KMT2A
SCHEMBL3062370 0.74 CCR9 (0.44) HDAC6FPR2CCR9KDM4EALDH1A1

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
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US disclosed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US 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 (1 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-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 HDAC6 690/4885FPR2 199/4885CCR9 22/4885

“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.