SCHEMBL3894727

SCHEMBL3894727

Cc1cccc(C(=O)Cc2ccnc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
VNN1 O95497 2/20 0.45
PARP1 P09874 1/20 0.44
WNT3A P56704 4/20 0.43
CTNNB1 P35222 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NR3C2 P08235 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
UHRF1 Q96T88 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41

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
SCHEMBL13740532 0.86 WNT3A (0.46) WNT3ACTNNB1MEN1KMT2AHPGD
SCHEMBL3890841 0.86 GAA (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4262323 0.86 GABRP (0.55) VNN1PARP1WNT3ACTNNB1MEN1
SCHEMBL3891876 0.86 VNN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3896133 0.83 PARP1 (0.47) PARP1WNT3ACTNNB1MEN1KMT2A
SCHEMBL3073424 0.83 NT5E (0.55) VNN1PARP1WNT3ACTNNB1MEN1
SCHEMBL6359073 0.82 CTBP2 (0.54) PARP1WNT3ACTNNB1MEN1KMT2A
SCHEMBL25310631 0.82 GSK3B (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30460427 0.82 GSK3B (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4265516 0.79 RAB9A (0.60) MEN1KMT2ANR3C2FFAR1TP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (3 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PSEN1 3987/4885PSEN2 4121/4885APH1B 2830/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 PSEN1 3982/4885PSEN2 3444/4885APH1B 4707/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PSEN1 3612/4885PSEN2 3079/4885APH1B 3839/4885

“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.