SCHEMBL6133653

SCHEMBL6133653

O=C(NC1CC1)c1nc(-c2ccccc2)c(-c2ccc(=O)n(Cc3ccccc3)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BRD4 O60885 1/20 0.44
HDAC1 Q13547 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAOB P27338 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 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
SCHEMBL6133518 0.89 USP2 (0.46) ALDH1A1SMN1; SMN2CNR1CNR2MAPT
SCHEMBL6133697 0.88 HSD17B10 (0.46) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6920286 0.87 HTT (0.43) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6828616 0.86 USP2 (0.43) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6133557 0.85 MEN1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL6133434 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6134162 0.83 MEN1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL6133760 0.82 MAOB (0.40) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6134093 0.80 CYP1A2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL6133344 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPTPOLB

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 630/4885SMN1; SMN2 3135/4885CNR1 169/4885

“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.