SCHEMBL6280445

SCHEMBL6280445

CC=C=NC(=O)c1ccc(CCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.50
PLK1 P53350 1/20 0.47
POLB P06746 3/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRA P10827 6/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL6285154 0.91 THRA (0.53) THRBPLK1ALDH1A1KMT2ATHRA
SCHEMBL6281924 0.88 THRA (0.57) THRBALDH1A1KMT2AMAPTTHRA
SCHEMBL6276575 0.87 ALDH1A1 (0.48) PLK1POLBALDH1A1NPC1RAB9A
SCHEMBL3892497 0.82 KAT6A (0.42) THRBPOLBALDH1A1MAPTGAA
SCHEMBL5824599 0.80 PLK1 (0.50) THRBPLK1POLBCTDSP1ALDH1A1
SCHEMBL5200457 0.78 ALDH1A1 (0.45) THRBALDH1A1KMT2ANPC1RAB9A
SCHEMBL3901954 0.76 CES2 (0.43) POLBALDH1A1KMT2ANPC1RAB9A
SCHEMBL3888131 0.76 CES2 (0.43) ALDH1A1NPC1RAB9AMAPTL3MBTL1
SCHEMBL12086481 0.75 PLK1 (0.56) THRBPLK1POLBCTDSP1ALDH1A1
SCHEMBL6281951 0.73 CYP2C9 (0.42) POLBALDH1A1KMT2ANPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (2 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 THRB 2504/4885PLK1 843/4885POLB 3338/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 THRB 2370/4885PLK1 676/4885POLB 3778/4885

“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.