SCHEMBL6276575

SCHEMBL6276575

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
PLK1 P53350 1/20 0.44
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CYP2D6 P10635 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6280445 0.87 THRB (0.50) ALDH1A1PLK1MAPTTDP1RAB9A
SCHEMBL6285154 0.84 THRA (0.53) ALDH1A1PLK1TDP1CYP1A2HPGD
SCHEMBL3887758 0.81 BCL2 (0.41) ALDH1A1SMN1; SMN2MAPT
SCHEMBL5200457 0.80 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2MAPTTDP1
SCHEMBL5825026 0.79 ALDH1A1 (0.52) ALDH1A1PLK1HTTSMN1; SMN2MAPT
SCHEMBL3888131 0.79 CES2 (0.43) ALDH1A1HTTSMN1; SMN2MAPTRAB9A
SCHEMBL3901954 0.79 CES2 (0.43) ALDH1A1HTTSMN1; SMN2MAPTTDP1
SCHEMBL3889458 0.78 CES2 (0.39) ALDH1A1SMN1; SMN2MAPTTDP1CYP2D6
SCHEMBL3900741 0.76 PLK1 (0.44) ALDH1A1PLK1HTTSMN1; SMN2MAPT
SCHEMBL6280933 0.76 HDAC1 (0.50) ALDH1A1HTTSMN1; SMN2MAPTRAB9A

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 10 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-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 (1 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 ALDH1A1 3292/4885PLK1 676/4885HTT 3987/4885

“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.