SCHEMBL3896473

SCHEMBL3896473

CC=C=NC(=O)c1cccc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KAT6A Q92794 3/20 0.40
TP53BP1 Q12888 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MDM4 O15151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL6281951 0.81 CYP2C9 (0.42) RXRARXRBSMN1; SMN2MAPTALDH1A1
SCHEMBL3889487 0.80 PARP1 (0.49) SMN1; SMN2MAPTALDH1A1KDM4ECYP3A4
SCHEMBL3898425 0.80 HDAC8 (0.50) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL3889889 0.78 CES2 (0.50) SMN1; SMN2ALDH1A1KDM4ECYP3A4HDAC8
SCHEMBL3887378 0.78 PARP1 (0.47) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL3889458 0.77 CES2 (0.39) SMN1; SMN2MAPTALDH1A1KDM4ECYP3A4
SCHEMBL3887425 0.76 CES2 (0.56) SMN1; SMN2MAPTALDH1A1LMNAMAPK1
SCHEMBL3887758 0.76 BCL2 (0.41) KAT6ASMN1; SMN2MAPTALDH1A1HDAC4
SCHEMBL6276155 0.75 CES2 (0.50) SMN1; SMN2MAPTALDH1A1KDM4ECYP3A4
SCHEMBL3890036 0.75 CES2 (0.54) MAPTALDH1A1HPGDHTTLMNA

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 12 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-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 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-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 RXRA 3669/4885RXRB 3516/4885RXRG 3649/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 RXRA 1663/4885RXRB 1885/4885RXRG 1875/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 RXRA 4044/4885RXRB 3734/4885RXRG 4004/4885

“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.