SCHEMBL6133626

SCHEMBL6133626

CC(C)n1nc(-c2sc(NC(=O)c3ccc(CN(C)CCN(C)C)cc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.45
ADORA2A P29274 6/20 0.45
ADORA1 P30542 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
HDAC3 O15379 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPGD P15428 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL6133816 0.93 HDAC1 (0.52) HDAC1ADORA2AADORA1SMN1; SMN2KMT2A
SCHEMBL6133270 0.89 ADORA2A (0.49) HDAC1ADORA2AADORA1SMN1; SMN2KMT2A
SCHEMBL6133582 0.87 ADORA2A (0.43) HDAC1ADORA2AADORA1SMN1; SMN2KMT2A
SCHEMBL6133384 0.86 ADORA2A (0.50) ADORA2AADORA1SMN1; SMN2KMT2AKDM4E
SCHEMBL6133303 0.86 ADORA2A (0.60) ADORA2AADORA1SMN1; SMN2KMT2AMEN1
SCHEMBL6133507 0.85 ADORA2A (0.43) ADORA2AADORA1SMN1; SMN2KDM4EMAPT
SCHEMBL6133433 0.85 ADORA2A (0.48) ADORA2AADORA1SMN1; SMN2KMT2AKDM4E
SCHEMBL6133349 0.83 ADORA2A (0.53) ADORA2AADORA1SMN1; SMN2KMT2AMEN1
SCHEMBL6133257 0.83 SMN1; SMN2 (0.56) ADORA2AADORA1SMN1; SMN2KMT2AKDM4E
SCHEMBL6134298 0.83 ADORA2A (0.53) ADORA2AADORA1SMN1; SMN2KMT2AKDM4E

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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR HDAC1 601/4885ADORA2A 635/4885ADORA1 243/4885

“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.