SCHEMBL3889889

SCHEMBL3889889

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
PARP1 P09874 1/20 0.47
PLA2G7 Q13093 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL3898425 0.82 HDAC8 (0.50) HDAC6PARP1NPC1RAB9AHDAC8
SCHEMBL3889487 0.82 PARP1 (0.49) PARP1NPC1RAB9AKMT2AMEN1
SCHEMBL3887378 0.81 PARP1 (0.47) PARP1NPC1RAB9APKMKMT2A
SCHEMBL3890036 0.80 CES2 (0.54) CES2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3901954 0.80 CES2 (0.43) CES2CES1NPC1RAB9AKMT2A
SCHEMBL9117144 0.80 CES2 (0.57) CES2CES1HDAC6HDAC1PARP1
SCHEMBL3889458 0.79 CES2 (0.39) CES2CES1HDAC6HDAC1PARP1
SCHEMBL3887425 0.78 CES2 (0.56) CES2CES1PARP1NPC1RAB9A
SCHEMBL3887758 0.78 BCL2 (0.41) HDAC6HDAC1HDAC11HDAC8PKM
SCHEMBL3896473 0.78 RXRA (0.41) NPC1RAB9AHDAC8ALDH1A1CYP3A4

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 13 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-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
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 (4 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 CES2 4154/4885CES1 2916/4885HDAC6 768/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 CES2 4112/4885CES1 3741/4885HDAC6 531/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 CES2 2910/4885CES1 2501/4885HDAC6 641/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 CES2 3461/4885CES1 3130/4885HDAC6 819/4885

“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.