SCHEMBL6133970

SCHEMBL6133970

CC(C)n1nc(-c2sc(NCCN3CCCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
RAD52 P43351 1/20 0.43
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40
ACP1 P24666 1/20 0.40
SMARCA2 P51531 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
KAT2B Q92831 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
NSD2 O96028 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL6133773 0.91 PTGS2 (0.48) PTGS2ACHEACP1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6133533 0.90 PTGS2 (0.48) PTGS2ACHEACP1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6133446 0.87 ALDH1A1 (0.44) PTGS2MAPTMEN1CYP3A4GAA
SCHEMBL6133403 0.86 PTGS2 (0.47) PTGS2RAD52ACP1MAPTMEN1
SCHEMBL6133360 0.86 PTGS2 (0.42) PTGS2MAPTGAAHTTKDM4E
Hydrochloric Acid SCHEMBL6133420 0.85 PTGS2 (0.47) PTGS2RAD52ACP1MAPTMEN1
Hydrochloric Acid SCHEMBL6134653 0.84 ALDH1A1 (0.45) PTGS2ACHEMAPTMEN1CYP3A4
SCHEMBL6133651 0.84 NPC1 (0.51) PTGS2MAPTALOX15SMN1; SMN2NPC1
SCHEMBL6133532 0.83 PTGS2 (0.44) PTGS2MAPTGAAHTTALDH1A1
SCHEMBL6136106 0.83 MAPT (0.50) PTGS2MAPTMEN1GAAKMT2A

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 1 patent. 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

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 PTGS2 1262/4885RAD52 3724/4885ACHE 3391/4885

“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.