SCHEMBL3890997

SCHEMBL3890997

CC=C=NC(=O)c1cc(C)cc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.43
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR1 Q9BXC0 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
C1S P09871 1/20 0.33
PRSS3 P35030 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GLA P06280 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL6601486 0.93 TPMT (0.57) TPMTALDH1A1NPSR1HCAR1HPGD
SCHEMBL3898425 0.82 HDAC8 (0.50) ALDH1A1HPGDNPC1RAB9AHDAC8
SCHEMBL5200457 0.81 ALDH1A1 (0.45) ALDH1A1NPSR1HPGDNPC1RAB9A
SCHEMBL6282074 0.79 TPMT (0.42) TPMTHCAR1RAB9ARXRARXRB
SCHEMBL3208606 0.78 TPMT (0.48) TPMTALDH1A1NPSR1HCAR1HPGD
SCHEMBL5825205 0.76 TPMT (0.46) TPMTALDH1A1NPSR1HCAR1HPGD
SCHEMBL3889458 0.74 CES2 (0.39) ALDH1A1RAB9AHDAC8HDAC6KDM4E
SCHEMBL3900917 0.73 PIM1 (0.39) HDAC6
SCHEMBL3901954 0.72 CES2 (0.43) ALDH1A1NPSR1NPC1RAB9APOLB
SCHEMBL3889487 0.72 PARP1 (0.49) ALDH1A1NPSR1HPGDNPC1RAB9A

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 21 patents — showing the first 20. 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-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
EP-1180518-B1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-01-17 EP disclosed
US-7101899-B1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof OHKAWA SHIGENORI 2006-06-22 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
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1180518-A1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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 TPMT 1968/4885ALDH1A1 3345/4885NPSR1 1144/4885
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 TPMT 977/4885ALDH1A1 1417/4885NPSR1 361/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 TPMT 57/4885ALDH1A1 3292/4885NPSR1 1438/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 TPMT 1131/4885ALDH1A1 1357/4885NPSR1 370/4885

“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.