SCHEMBL6133914

SCHEMBL6133914

CC(C)n1nc(-c2sc(C(=O)N3CCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 4/20 0.42
PTGS2 P35354 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PTGS1 P23219 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6133281 0.99 PTGS2 (0.43) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6134065 0.92 ALDH1A1 (0.53) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6133806 0.92 PTGS2 (0.43) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6133850 0.91 HPGD (0.45) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6133292 0.91 TSHR (0.42) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6133241 0.88 SMN1; SMN2 (0.44) HPGDALDH1A1KDM4EKMT2APTGS2
SCHEMBL6133813 0.85 ALOX15 (0.46) ALDH1A1KDM4EKMT2APTGS2TSHR
SCHEMBL6133425 0.84 RET (0.41) ALDH1A1KDM4EKMT2AMAPTNPC1
SCHEMBL6134642 0.83 TP53 (0.41) HPGDALDH1A1KDM4ETSHRHSD17B10
SCHEMBL6133840 0.83 PTGS2 (0.50) HPGDALDH1A1KDM4EKMT2APTGS2

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 HPGD 1177/4885ALDH1A1 630/4885KDM4E 3814/4885

“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.