SCHEMBL3900917

SCHEMBL3900917

CC=C=NC(=O)c1ccc(F)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HTR7 P34969 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
ENPP2 Q13822 1/20 0.33
GRIK2 Q13002 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
SLC9A1 P19634 1/20 0.32
GABRA1 P14867 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL6279796 0.85 SMN1; SMN2 (0.43) CES2CES1
SCHEMBL16590416 0.82 PIM1 (0.41) PIM1HDAC1HDAC6MAOAMAOB
SCHEMBL3901954 0.78 CES2 (0.43) HTR7CES2CES1
SCHEMBL5200457 0.76 ALDH1A1 (0.45) HDAC1HDAC6CES2CES1
SCHEMBL3889889 0.76 CES2 (0.50) HDAC1HDAC6CES2CES1
SCHEMBL3888131 0.75 CES2 (0.43) CES2CES1
SCHEMBL3898425 0.74 HDAC8 (0.50) HDAC6
SCHEMBL6276155 0.73 CES2 (0.50) CES2CES1
SCHEMBL3887378 0.73 PARP1 (0.47) MAOAMAOB
SCHEMBL3890997 0.73 TPMT (0.43) HDAC6

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 14 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-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP 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 (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-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 PIM1 3870/4885HDAC1 65/4885HDAC6 161/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 PIM1 359/4885HDAC1 402/4885HDAC6 531/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 PIM1 586/4885HDAC1 1363/4885HDAC6 641/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 PIM1 172/4885HDAC1 294/4885HDAC6 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.