SCHEMBL3887757

SCHEMBL3887757

CCc1cccc(C(=O)N2CC2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK14 Q16539 1/20 0.48
SMYD3 Q9H7B4 2/20 0.47
HSD17B10 Q99714 1/20 0.45
ABCB1 P08183 1/20 0.43
MGLL Q99685 1/20 0.42
BCL2 P10415 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.42
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
KAT6A Q92794 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3892495 0.88 HTT (0.49) HTTL3MBTL1MAPK14HSD17B10ABCB1
SCHEMBL133281 0.85 HTT (0.60) HTTL3MBTL1MAPK14HSD17B10NPC1
SCHEMBL1935843 0.85 HTT (0.60) HTTL3MBTL1MAPK14HSD17B10NPC1
SCHEMBL3889485 0.81 ALDH1A1 (0.60) HTTL3MBTL1HSD17B10PARP1TP53
SCHEMBL6276573 0.80 ALDH1A1 (0.50) MAPK14MEN1ALDH1A1KMT2A
SCHEMBL14849001 0.79 L3MBTL1 (0.49) HTTL3MBTL1MAPK14HSD17B10SMN1; SMN2
SCHEMBL3898423 0.79 HTT (0.76) HTTL3MBTL1HSD17B10MGLLNPC1
SCHEMBL14884897 0.79 HTT (0.55) HTTL3MBTL1SMYD3HSD17B10MEN1
SCHEMBL14234095 0.79 ALDH1A1 (0.62) HTTL3MBTL1MGLLSMN1; SMN2NPC1
SCHEMBL27894302 0.79 L3MBTL1 (0.55) HTTL3MBTL1HSD17B10NPC1RECQL

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 HTT 4847/4885L3MBTL1 4484/4885MAPK14 50/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 HTT 4703/4885L3MBTL1 1981/4885MAPK14 31/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 HTT 3987/4885L3MBTL1 4739/4885MAPK14 29/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 HTT 4703/4885L3MBTL1 2242/4885MAPK14 14/4885

“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.