SCHEMBL6134065

SCHEMBL6134065

CC(C)n1nc(-c2sc(C(=O)N3CCN(C)CC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PTGS2 P35354 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PTGS1 P23219 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 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
SCHEMBL6133806 0.92 PTGS2 (0.43) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133914 0.92 HPGD (0.42) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133281 0.91 PTGS2 (0.43) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133292 0.91 TSHR (0.42) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133850 0.90 HPGD (0.45) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133241 0.88 SMN1; SMN2 (0.44) ALDH1A1PTGS2KDM4EHPGDTSHR
SCHEMBL6133425 0.83 RET (0.41) ALDH1A1KDM4EKMT2AMAPTNPC1
SCHEMBL6134642 0.82 TP53 (0.41) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL6133813 0.81 ALOX15 (0.46) ALDH1A1PTGS2KDM4ETSHRMEN1
SCHEMBL6133645 0.81 TP53 (0.38) ALDH1A1KDM4EHPGDMEN1KMT2A

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 ALDH1A1 630/4885PTGS2 1262/4885KDM4E 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.